3-Phenyl-1H-pyrazole

CAT: 0024-sc-283834ASize: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-283834ASize:5 g

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CAS Number

2458-26-6

Chemical Information

3-phenyl-1H-pyrazole

CAS Number	2458-26-6
PubChem CID	17155
IUPAC Name	5-phenyl-1H-pyrazole
Molecular Formula	C9H8N2
Molecular Weight	144.17
XLogP	1.9
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	119

SMILES

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

InChI

InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)

InChIKey

OEDUIFSDODUDRK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2458-26-6

CID: 17155

Formula: C9H8N2

MW: 144.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	144.17
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	144.068748264
Monoisotopic Mass	144.068748264
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	119
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
sc-310694	3-[3- (Trifluoromethyl) phenyl]-1H-pyrazole
sc-310694A	3-[3- (Trifluoromethyl) phenyl]-1H-pyrazole
sc-277624	4-phenyl-1H-pyrazole
sc-356664	3-[4- (Trifluoromethyl) phenyl]-1H-pyrazole
sc-260598	3- (Trifluoromethyl) -5-phenyl-1H-pyrazole
sc-356664A	3-[4- (Trifluoromethyl) phenyl]-1H-pyrazole
sc-356657A	3-[2- (Trifluoromethyl) phenyl]-1H-pyrazole
sc-356657	3-[2- (Trifluoromethyl) phenyl]-1H-pyrazole
sc-266456	3-Amino-5-phenyl-1H-pyrazole
sc-275994	3-Amino-4-phenyl-1H-pyrazole

Catalog	Name
OR9451-01	3-Phenyl-1H-pyrazole
PC300781-01	3-[3- (Trifluoromethoxy) phenyl]-1H-pyrazole
DXC60065-01	3-[3- (Benzyloxy) phenyl]-1H-pyrazole
PC4123	3-[3- (Trifluoromethyl) phenyl]-1H-pyrazole
OR965552-01	4-Phenyl-1H-pyrazole
OR346596-01	1-Phenyl-1H-pyrazole
OR52122-01	5-Phenyl-1H-pyrazole
ZUA21606-01	4-Phenyl-1H-pyrazole-3-carbaldehyde
261130-01	3-Amino-4-Phenyl-1H-pyrazole
OR1057020-01	1-Methyl-3-phenyl-1H-pyrazole