3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile

C17H15N3 — CID 101094034

IUPAC3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile
SMILESCC1(C#N)CC(c2ccccc2)(c2ccccc2)N=N1
InChIInChI=1S/C17H15N3/c1-16(13-18)12-17(20-19-16,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyXPNWNCVJYWHPOH-UHFFFAOYSA-N
MW261.33 g/mol
LogP4.07
Rot. Bonds2

About 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile

3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile (PubChem CID 101094034) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile.

Molecular Properties

Compound Name3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile
PubChem CID101094034
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile
SMILESCC1(C#N)CC(c2ccccc2)(c2ccccc2)N=N1
InChIInChI=1S/C17H15N3/c1-16(13-18)12-17(20-19-16,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3
InChIKeyXPNWNCVJYWHPOH-UHFFFAOYSA-N
XLogP4.07
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
ethane;4-(5-methyl-5-phenyl-4H-1,2-oxazol-3-yl)benzonitrile
CID 123829563
2,2-diphenyl-1-trimethylsilyloxycyclopropane-1-carbonitrile
CID 13199261
(1,2-dimethyl-2-phenylcyclopropyl)benzene
CID 3657661
2-ethyl-1-methyl-3-phenylpyrrolidine-3-carbonitrile
CID 154345951
3,3-diethyl-1-phenylcyclobutane-1-carbonitrile
CID 23294999
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
CID 6427547
1-phenylcyclopent-3-ene-1-carbonitrile
CID 23374575
(2S)-2-methyl-2-phenyloxirane
CID 11629614
1-(cyanomethyl)-2-methyl-4,4-diphenylpyrrolidine-2-carbonitrile
CID 122202882
(1-cyano-2-methyl-2-phenylcyclopropyl) acetate
CID 539178
2-phenylspiro[3.3]heptane-2-carbonitrile
CID 65009327

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile?
The IUPAC name of 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile (CID 101094034) is 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile.
What is the SMILES notation for 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile?
The canonical SMILES for 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile is CC1(C#N)CC(c2ccccc2)(c2ccccc2)N=N1.
What is the InChIKey of 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile?
The InChIKey is XPNWNCVJYWHPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3/c1-16(13-18)12-17(20-19-16,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11H,12H2,1H3.
What are the key properties of 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile?
3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile has a molecular weight of 261.33 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,5-diphenyl-4H-pyrazole-3-carbonitrile is sourced from PubChem (CID 101094034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).