3- (2,5-Difluorophenyl) -1H-pyrazole

CAT: 0926-ZTA70870-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ZTA70870-01Size:0.5 g

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CAS Number

474708-70-8

MDL Number

MFCD03618497

Smiles

C1=CC (=C (C=C1F) C2=CC=NN2) F

Molecular Formula

C9H6F2N2

Molecular Weight

180.15 g/mol

Controlled

Chemical Information

5-(2,5-difluorophenyl)-1H-pyrazole

CAS Number	474708-70-8
PubChem CID	22031461
IUPAC Name	5-(2,5-difluorophenyl)-1H-pyrazole
Molecular Formula	C9H6F2N2
Molecular Weight	180.15
XLogP	2.1
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	177

SMILES

C1=CC(=C(C=C1F)C2=CC=NN2)F

InChI

InChI=1S/C9H6F2N2/c10-6-1-2-8(11)7(5-6)9-3-4-12-13-9/h1-5H,(H,12,13)

InChIKey

SBSIJHAAEYQRHD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 474708-70-8

CID: 22031461

Formula: C9H6F2N2

MW: 180.15

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	180.15
XLogP3	2.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	180.04990452
Monoisotopic Mass	180.04990452
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	177
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
PSA10666-01	4- (3,5-Difluorophenyl) -1H-pyrazole
BBC54199-01	5- (3,5-difluorophenyl) -1H-pyrazole-3-carboxylic acid
CWB96242-01	1- (2,5-Difluorophenyl) -1H-pyrazole-3-carboxylic acid
CWB54635-01	3- (2,5-Difluorophenyl) -1-methyl-1H-pyrazole-4-carbaldehyde
JWB94085-01	3-{[ (2,3-Difluorophenyl) methyl]amino}-1H-pyrazole-5-carboxylic acid
CWB54208-01	3- (2,6-Difluorophenyl) -1H-pyrazole-4-carbaldehyde
YGC02588-01	3- (Chloromethyl) -1- (2,6-difluorophenyl) -1H-pyrazole
FJC17794-01	3- (Chloromethyl) -1- (2,4-difluorophenyl) -1H-pyrazole
ZAC47076-01	1- (2,4-Difluorophenyl) -5-methyl-1H-pyrazole-3-carboxylic acid
XWC93378-01	1- (2,6-Difluorophenyl) -5-methyl-1H-pyrazole-3-carboxylic acid

Catalog	Name
PC110030-01	3- (2,5-Difluorophenyl) -1H-pyrazole
PC110031-01	3- (3,5-Difluorophenyl) -1H-pyrazole
PC1005424-01	1- (2,4-Difluorophenyl) -1H-pyrazole
PC10358-01	3- (3,5-Difluorophenyl) -1H-pyrazole-4-carboxaldehyde
PC1003569-01	4-Bromo-1- (3,5-difluorophenyl) -1H-pyrazole
PC9995-01	3- (3,4-Difluorophenyl) -1H-pyrazole
PC107670	5- (3,4-Difluorophenyl) -1H-pyrazole-3-carboxylic acid
sc-327493	Ethyl 5-amino-1- (2,4-difluorophenyl) -1H-pyrazole-4-carboxylate
TRC-M333773-100MG	Methyl 1-(2,4-Difluorophenyl)-3-phenyl-1H-pyrazole-5-carboxylate
sc-332409	1- (2,4-difluorophenyl) -5-methyl-1H-pyrazole-4-carboxylic acid