2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile

C15H23N3 — CID 65377026

IUPAC2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H23N3/c1-3-15(2,12-16)11-13-9-10-18(17-13)14-7-5-4-6-8-14/h9-10,14H,3-8,11H2,1-2H3
InChIKeyVOTHKISNGNGIAW-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.87
Rot. Bonds4

About 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile

2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile (PubChem CID 65377026) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile.

Molecular Properties

Compound Name2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
PubChem CID65377026
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
SMILESCCC(C)(C#N)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H23N3/c1-3-15(2,12-16)11-13-9-10-18(17-13)14-7-5-4-6-8-14/h9-10,14H,3-8,11H2,1-2H3
InChIKeyVOTHKISNGNGIAW-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-1-amine
CID 64779672
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
CID 64784256
3-(1-cyclopentylpyrazol-3-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 64777905
N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methylbutan-2-amine
CID 64801383
N-[(1-cyclohexylpyrazol-3-yl)methyl]-2,2-dimethylbutan-1-amine
CID 103461395
1-(1-cyclopentylpyrazol-3-yl)-2-phenylbutan-2-ol
CID 64783095
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
2-(aminomethyl)-3-(1-cyclohexylpyrazol-3-yl)-2-methylpropanoic acid
CID 106487284
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2-methyl-N-propan-2-ylbut-3-en-1-amine
CID 102641074
1-(1-cyclopentylpyrazol-3-yl)-2-(4-methylphenyl)propan-2-amine
CID 64784289

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile?
The IUPAC name of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile (CID 65377026) is 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile.
What is the SMILES notation for 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile?
The canonical SMILES for 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile is CCC(C)(C#N)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile?
The InChIKey is VOTHKISNGNGIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-15(2,12-16)11-13-9-10-18(17-13)14-7-5-4-6-8-14/h9-10,14H,3-8,11H2,1-2H3.
What are the key properties of 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile?
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile has a molecular weight of 245.37 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile is sourced from PubChem (CID 65377026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).