2-(2-cyclohexylpyrazol-3-yl)acetonitrile

C11H15N3 — CID 105443852

IUPAC2-(2-cyclohexylpyrazol-3-yl)acetonitrile
SMILESN#CCc1ccnn1C1CCCCC1
InChIInChI=1S/C11H15N3/c12-8-6-11-7-9-13-14(11)10-4-2-1-3-5-10/h7,9-10H,1-6H2
InChIKeyNXJPFOXSKACQMW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-cyclohexylpyrazol-3-yl)acetonitrile

2-(2-cyclohexylpyrazol-3-yl)acetonitrile (PubChem CID 105443852) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-(2-cyclohexylpyrazol-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-cyclohexylpyrazol-3-yl)acetonitrile
PubChem CID105443852
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-(2-cyclohexylpyrazol-3-yl)acetonitrile
SMILESN#CCc1ccnn1C1CCCCC1
InChIInChI=1S/C11H15N3/c12-8-6-11-7-9-13-14(11)10-4-2-1-3-5-10/h7,9-10H,1-6H2
InChIKeyNXJPFOXSKACQMW-UHFFFAOYSA-N
XLogP2.45
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-1-cyclohexylpyrazole
CID 138987728
2-cyclopentylpyrazole-3-carbonitrile
CID 105431659
2-(1-cyclohexylpyrrol-2-yl)acetonitrile
CID 86149026
5-chloro-1-cycloheptylpyrazole
CID 83241860
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine
CID 165443973
N-[(2-cyclopentylpyrazol-3-yl)methyl]-4-methylaniline
CID 19626139
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
N-[(2-cyclopentylpyrazol-3-yl)methyl]-2,4-difluoroaniline
CID 19626149
4-[5-(aminomethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 84733271
N-[(2-cyclohexylpyrazol-3-yl)methyl]-4-(4-cyclopropylpiperazin-1-yl)aniline
CID 166374920
3-(5-ethylpyrazol-1-yl)piperidine
CID 84768027

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylpyrazol-3-yl)acetonitrile?
The IUPAC name of 2-(2-cyclohexylpyrazol-3-yl)acetonitrile (CID 105443852) is 2-(2-cyclohexylpyrazol-3-yl)acetonitrile.
What is the SMILES notation for 2-(2-cyclohexylpyrazol-3-yl)acetonitrile?
The canonical SMILES for 2-(2-cyclohexylpyrazol-3-yl)acetonitrile is N#CCc1ccnn1C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylpyrazol-3-yl)acetonitrile?
The InChIKey is NXJPFOXSKACQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c12-8-6-11-7-9-13-14(11)10-4-2-1-3-5-10/h7,9-10H,1-6H2.
What are the key properties of 2-(2-cyclohexylpyrazol-3-yl)acetonitrile?
2-(2-cyclohexylpyrazol-3-yl)acetonitrile has a molecular weight of 189.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylpyrazol-3-yl)acetonitrile is sourced from PubChem (CID 105443852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).