3- (4-Methylphenyl) pyrazole

CAT: 0127-OR9133Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

59843-75-3

MDL Number

MFCD00665963

Purity

98%

Smiles

Cc1ccc(cc1)c2cc[nH]n2

Chemical Information

5-(4-methylphenyl)-1H-pyrazole

CAS Number	59843-75-3
PubChem CID	2725023
IUPAC Name	5-(4-methylphenyl)-1H-pyrazole
Molecular Formula	C10H10N2
Molecular Weight	158.20
XLogP	2.2
Topological Polar Surface Area	28.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	12
Formal Charge	0
Complexity	139

SMILES

CC1=CC=C(C=C1)C2=CC=NN2

InChI

InChI=1S/C10H10N2/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3,(H,11,12)

InChIKey

VOMXXXBTALQTAK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 59843-75-3

CID: 2725023

Formula: C10H10N2

MW: 158.20

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	158.20
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	158.084398327
Monoisotopic Mass	158.084398327
Topological Polar Surface Area	28.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	139
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
OR14292-01	3- (4-Methylphenyl) -1H-pyrazole-4-carboxaldehyde
OR1084738-01	3- (4-Methoxy-3-methylphenyl) -1H-pyrazole
OR954547	4- (4-Methylphenyl) -1H-pyrazole
OR1091020-01	4-bromo-3- (4-methoxy-3-methylphenyl) -1H-pyrazole
OR1099924	1- (4-Bromo-3-methylphenyl) -1H-pyrazole
OR1086052	1- (3-Bromo-4-methylphenyl) -1H-pyrazole
OR88219-01	4- (2-Methylphenyl) -1H-pyrazole
OR36-01	3- (2-Methylphenyl) -1H-pyrazole
OR76182	5- (3-Methylphenyl) -1h-pyrazole
OR1085624	1- (4-Bromo-3-methylphenyl) -1H-pyrazole-4-carbaldehyde

Catalog	Name
284379-01	3- (4-Methylphenyl) pyrazole
XJB36613-01	4- (2-Methylphenyl) -1H-pyrazole
284360-01	3- (4-Methylphenyl) -1H-pyrazole-4-carbaldehyde
sc-273056	1- (4-Methylphenyl) -1H-pyrazole-4-carbaldehyde
GNB78540-01	3- (4-Methylphenyl) -1-[ (4-methylphenyl) methyl]-1H-pyrazole-4-carbaldehyde
FM54181-01	3- (4-Methylphenyl) -5- (trifluoromethyl) pyrazole
231398-01	3- (4-Methylphenyl) pyrazole 98+% (HPLC)
430524-01	4-Bromo-1- (2-methylphenyl) pyrazole
sc-233233	5-Amino-3- (4-methylphenyl) pyrazole
GNB50854-01	3- (4-Methylphenyl) -1-[ (4-methylphenyl) methyl]-1H-pyrazole-4-carboxylic acid