1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile

C17H25N3 — CID 65378092

IUPAC1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C17H25N3/c1-14-5-4-9-17(11-14,13-18)12-15-8-10-20(19-15)16-6-2-3-7-16/h8,10,14,16H,2-7,9,11-12H2,1H3
InChIKeySGZMWPPMBFHJFL-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.26
Rot. Bonds3

About 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile

1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile (PubChem CID 65378092) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile
PubChem CID65378092
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile
SMILESCC1CCCC(C#N)(Cc2ccn(C3CCCC3)n2)C1
InChIInChI=1S/C17H25N3/c1-14-5-4-9-17(11-14,13-18)12-15-8-10-20(19-15)16-6-2-3-7-16/h8,10,14,16H,2-7,9,11-12H2,1H3
InChIKeySGZMWPPMBFHJFL-UHFFFAOYSA-N
XLogP4.26
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylcyclopentan-1-amine
CID 64785070
1-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylcyclohexan-1-amine
CID 64783322
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]ethanone
CID 106797108
1-[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexyl]-N-methylmethanamine
CID 64779878
[3-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyloxolan-3-yl]methanamine
CID 114533961
3-[[1-(bromomethyl)cyclopropyl]methyl]-1-cyclopentylpyrazole
CID 66049323
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107450001
1-[(1-cyclohexylpyrazol-3-yl)methyl]-3-ethylcyclohexan-1-amine
CID 64783907
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82870674
1-[(3,5-dimethylphenyl)methyl]-3-methylcyclohexane-1-carbonitrile
CID 65378501
[1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropyl]methanol
CID 66024341

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile (CID 65378092) is 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile is CC1CCCC(C#N)(Cc2ccn(C3CCCC3)n2)C1.
What is the InChIKey of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile?
The InChIKey is SGZMWPPMBFHJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14-5-4-9-17(11-14,13-18)12-15-8-10-20(19-15)16-6-2-3-7-16/h8,10,14,16H,2-7,9,11-12H2,1H3.
What are the key properties of 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile?
1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile has a molecular weight of 271.41 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylcyclohexane-1-carbonitrile is sourced from PubChem (CID 65378092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).