1-Methyl-5-phenyl-1H-pyrazole - CAS 3463-27-2

Catalog:	BB053451
Product Name:	1-Methyl-5-phenyl-1H-pyrazole
CAS:	3463-27-2
Synonyms:	1H-Pyrazole, 1-methyl-5-phenyl-

Technical Data

Computed Properties

IUPAC Name:	1-methyl-5-phenylpyrazole
Molecular Weight:	158.20
Molecular Formula:	C10H10N2
Canonical SMILES:	CN1C(=CC=N1)C2=CC=CC=C2
InChI:	InChI=1S/C10H10N2/c1-12-10(7-8-11-12)9-5-3-2-4-6-9/h2-8H,1H3
InChI Key:	NLHYNCJBWXKZGP-UHFFFAOYSA-N
Boiling Point:	280.5°C at 760 mmHg
Purity:	95%
Density:	1.04 g/cm3

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Related Functional Groups

Arenes

[751-38-2]
1,2,3,4-Tetraphenylnaphthalene
[87117-22-4]
1,4-Bis(2-ethylhexyl)benzene
[52159-67-8]
Methyl 3-chloro-2-hydroxybenzoate
[843673-72-3]
(R)-4-(1-((tert-Butoxycarbonyl)amino)-2-hydroxyethyl)phenyl trifluoromethanesulfonate
[127107-31-7]
1-Phenyl-1H-pyrazol-4-amine hydrochloride
[30879-49-3]
2'-Nitro-5'-hydroxyacetophenone

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[55877-31-1]
1-Benzofuran-3-carbonitrile
[618-40-6]
1-Methyl-1-phenylhydrazine

Pyrazoles

[890092-87-2]
(4-Acetyl-3,5-dimethyl-1H-pyrazol-1-yl)acetic acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431965-90-0]
1-Cyclopentyl-5-methylpyrazol-3-amine hydrochloride
[1170836-25-5]
1-Cyclopentyl-5-nitro-1H-pyrazole

Complexity:	141
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.084398327
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	158.084398327
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9