2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile

C16H17N3 — CID 82087737

IUPAC2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile
SMILESCc1cc(C)cc(-n2nc(CC#N)cc2C2CC2)c1
InChIInChI=1S/C16H17N3/c1-11-7-12(2)9-15(8-11)19-16(13-3-4-13)10-14(18-19)5-6-17/h7-10,13H,3-5H2,1-2H3
InChIKeyAIBSDOMWJDYBSA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.43
Rot. Bonds3

About 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile

2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile (PubChem CID 82087737) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile
PubChem CID82087737
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile
SMILESCc1cc(C)cc(-n2nc(CC#N)cc2C2CC2)c1
InChIInChI=1S/C16H17N3/c1-11-7-12(2)9-15(8-11)19-16(13-3-4-13)10-14(18-19)5-6-17/h7-10,13H,3-5H2,1-2H3
InChIKeyAIBSDOMWJDYBSA-UHFFFAOYSA-N
XLogP3.43
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile 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

1,5-Diphenyl-3-methyl-1H-pyrazole
CID 5191592
3,5-ditert-butyl-1-phenyl-1H-pyrazole
CID 1240104
2-(3,5-dimethyl-1H-pyrazol-1-yl)benzonitrile
CID 2804987
2-(3-methyl-1,5-diphenyl-1H-pyrazol-4-yl)acetonitrile
CID 477596
4-Ethyl-3-methyl-1,5-diphenyl-1H-pyrazole
CID 5327637
1,3-Diphenyl-1H-pyrazole-5-carbonitrile
CID 542822
4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile
CID 57391350
3-Pentyl-1,5-diphenylpyrazole
CID 71583291
3,4-Dimethyl-1,5-diphenylpyrazole
CID 10800584
3-methyl-1-phenyl-5-prop-1-en-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 659318
3-Methyl-1,5-diphenyl-4-prop-1-ynylpyrazole
CID 44265568
1-(3,4-Dimethylphenyl)-5-phenylpyrazole-3,4-dicarbonitrile
CID 168293015

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile?
The IUPAC name of 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile (CID 82087737) is 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile.
What is the SMILES notation for 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile?
The canonical SMILES for 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile is Cc1cc(C)cc(-n2nc(CC#N)cc2C2CC2)c1.
What is the InChIKey of 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile?
The InChIKey is AIBSDOMWJDYBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11-7-12(2)9-15(8-11)19-16(13-3-4-13)10-14(18-19)5-6-17/h7-10,13H,3-5H2,1-2H3.
What are the key properties of 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile?
2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile has a molecular weight of 251.33 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-1-(3,5-dimethylphenyl)pyrazol-3-yl]acetonitrile is sourced from PubChem (CID 82087737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).