1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile

C15H23N3 — CID 82871247

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C15H23N3/c1-3-4-13-5-8-15(12-16,9-6-13)11-14-7-10-18(2)17-14/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyVIGKSPGJPHRBGC-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.46
Rot. Bonds4

About 1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile

1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile (PubChem CID 82871247) 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-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
PubChem CID82871247
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C15H23N3/c1-3-4-13-5-8-15(12-16,9-6-13)11-14-7-10-18(2)17-14/h7,10,13H,3-6,8-9,11H2,1-2H3
InChIKeyVIGKSPGJPHRBGC-UHFFFAOYSA-N
XLogP3.46
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.46
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
1-[(1-methylpyrazol-3-yl)methyl]-4-propan-2-ylcyclohexane-1-carbonitrile
CID 82871368
4,4-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexane-1-carbonitrile
CID 82871115
3-[[4-butyl-1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 82870698
[4-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexyl]methanol
CID 82870443
3-[(1-methylpyrazol-3-yl)methyl]oxolane-3-carbonitrile
CID 82870785
1-ethyl-4-propylcyclohexane-1-carbonitrile
CID 65425800
1-[(3,5-dimethylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424458
1-[(4-propan-2-ylphenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65424072
1-[(2-fluorophenyl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425616
1-(2,3-dihydro-1H-inden-5-ylmethyl)-4-propylcyclohexane-1-carbonitrile
CID 65423485
1-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propylcyclohexane-1-carbonitrile
CID 65425025

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile (CID 82871247) is 1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)(Cc2ccn(C)n2)CC1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
The InChIKey is VIGKSPGJPHRBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-4-13-5-8-15(12-16,9-6-13)11-14-7-10-18(2)17-14/h7,10,13H,3-6,8-9,11H2,1-2H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile?
1-[(1-methylpyrazol-3-yl)methyl]-4-propylcyclohexane-1-carbonitrile has a molecular weight of 245.37 g/mol, XLogP of 3.46, 4 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-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 82871247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).