1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile

C15H23N3 — CID 82871368

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(C#N)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C15H23N3/c1-12(2)13-4-7-15(11-16,8-5-13)10-14-6-9-18(3)17-14/h6,9,12-13H,4-5,7-8,10H2,1-3H3
InChIKeyOQCZDDLTOWLCBH-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.32
Rot. Bonds3

About 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile

1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile (PubChem CID 82871368) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
PubChem CID82871368
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
SMILESCC(C)C1CCC(C#N)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C15H23N3/c1-12(2)13-4-7-15(11-16,8-5-13)10-14-6-9-18(3)17-14/h6,9,12-13H,4-5,7-8,10H2,1-3H3
InChIKeyOQCZDDLTOWLCBH-UHFFFAOYSA-N
XLogP3.32
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82870674
4,4-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82871115
1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 82871247
3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile
CID 82870785
1-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 65377213
1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
CID 82870101
1-[(3-bromothiophen-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 65423507
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191
2-(1-methylpyrazol-3-yl)-1-(4-propan-2-ylcyclohexyl)ethanone
CID 82869017
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82870688
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
4-(methylaminomethyl)-4-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 112745382

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile (CID 82871368) is 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile is CC(C)C1CCC(C#N)(Cc2ccn(C)n2)CC1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
The InChIKey is OQCZDDLTOWLCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-12(2)13-4-7-15(11-16,8-5-13)10-14-6-9-18(3)17-14/h6,9,12-13H,4-5,7-8,10H2,1-3H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile?
1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile has a molecular weight of 245.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 82871368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).