5-methyl-3,3-diphenylpyrazole

C16H14N2 — CID 605783

IUPAC5-methyl-3,3-diphenylpyrazole
SMILESCC1=CC(c2ccccc2)(c2ccccc2)N=N1
InChIInChI=1S/C16H14N2/c1-13-12-16(18-17-13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyRQPFXERQZHJWML-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.30
Rot. Bonds2

About 5-methyl-3,3-diphenylpyrazole

5-methyl-3,3-diphenylpyrazole (PubChem CID 605783) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-methyl-3,3-diphenylpyrazole.

Molecular Properties

Compound Name5-methyl-3,3-diphenylpyrazole
PubChem CID605783
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name5-methyl-3,3-diphenylpyrazole
SMILESCC1=CC(c2ccccc2)(c2ccccc2)N=N1
InChIInChI=1S/C16H14N2/c1-13-12-16(18-17-13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3
InChIKeyRQPFXERQZHJWML-UHFFFAOYSA-N
XLogP4.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1,1',1''-(azidomethylidyne)tris-
CID 84340
2-Azidobiphenyl
CID 82074
Benzene, 1,1'-(azidomethylene)bis-
CID 145979
p,p'-Azocumene
CID 97320
(2S)-1,2-diphenylpropan-2-amine
CID 12321786
1-(Azidomethyl)-4-phenylbenzene
CID 11031077
3-(Azidomethyl)-1,1'-biphenyl
CID 71513995
1,2-Diphenylpropan-2-amine
CID 164087
(2R)-1,2-diphenylpropan-2-amine
CID 12321787
4-Azido-1,1'-biphenyl
CID 92281
(1-Azidoethenyl)benzene
CID 4329850
3-Phenyl-5-trifluoromethyl-5-(p-tolyl)pyrazole
CID 14874577

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,3-diphenylpyrazole?
The IUPAC name of 5-methyl-3,3-diphenylpyrazole (CID 605783) is 5-methyl-3,3-diphenylpyrazole.
What is the SMILES notation for 5-methyl-3,3-diphenylpyrazole?
The canonical SMILES for 5-methyl-3,3-diphenylpyrazole is CC1=CC(c2ccccc2)(c2ccccc2)N=N1.
What is the InChIKey of 5-methyl-3,3-diphenylpyrazole?
The InChIKey is RQPFXERQZHJWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-13-12-16(18-17-13,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-12H,1H3.
What are the key properties of 5-methyl-3,3-diphenylpyrazole?
5-methyl-3,3-diphenylpyrazole has a molecular weight of 234.30 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,3-diphenylpyrazole is sourced from PubChem (CID 605783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).