1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile

C14H21N3 — CID 65377213

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
SMILESCC(C)n1ccc(CC2(C#N)CCCCC2)n1
InChIInChI=1S/C14H21N3/c1-12(2)17-9-6-13(16-17)10-14(11-15)7-4-3-5-8-14/h6,9,12H,3-5,7-8,10H2,1-2H3
InChIKeyKDMGDFWMUIZNQO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.48
Rot. Bonds3

About 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile

1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile (PubChem CID 65377213) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
PubChem CID65377213
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
SMILESCC(C)n1ccc(CC2(C#N)CCCCC2)n1
InChIInChI=1S/C14H21N3/c1-12(2)17-9-6-13(16-17)10-14(11-15)7-4-3-5-8-14/h6,9,12H,3-5,7-8,10H2,1-2H3
InChIKeyKDMGDFWMUIZNQO-UHFFFAOYSA-N
XLogP3.48
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-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

3-[(1-butan-2-ylpyrazol-3-yl)methyl]oxane-3-carbonitrile
CID 65395016
4,4-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82871115
1-[1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclopropyl]ethanol
CID 106798253
1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 82871368
1-[1-hydroxy-2-(1-propan-2-ylpyrazol-3-yl)ethyl]cycloheptan-1-ol
CID 103452043
1-[1-amino-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066061
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxan-4-ol
CID 64772234
1-[1-(dimethylamino)cycloheptyl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 79063367
4-[(1-propan-2-ylpyrazol-3-yl)methyl]oxane-4-carboxylic acid
CID 64773303
1-(1-methylcyclopentyl)-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 114975659
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82870674
4-tert-butyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 65094517

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile (CID 65377213) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile is CC(C)n1ccc(CC2(C#N)CCCCC2)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile?
The InChIKey is KDMGDFWMUIZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-12(2)17-9-6-13(16-17)10-14(11-15)7-4-3-5-8-14/h6,9,12H,3-5,7-8,10H2,1-2H3.
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile has a molecular weight of 231.34 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 65377213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).