2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile

C12H18N4 — CID 62741701

IUPAC2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
SMILESCn1cc(CNC2CCCCC2C#N)cn1
InChIInChI=1S/C12H18N4/c1-16-9-10(8-15-16)7-14-12-5-3-2-4-11(12)6-13/h8-9,11-12,14H,2-5,7H2,1H3
InChIKeyWTCPSBRPSCULMA-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.59
Rot. Bonds3

About 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile

2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile (PubChem CID 62741701) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
PubChem CID62741701
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
SMILESCn1cc(CNC2CCCCC2C#N)cn1
InChIInChI=1S/C12H18N4/c1-16-9-10(8-15-16)7-14-12-5-3-2-4-11(12)6-13/h8-9,11-12,14H,2-5,7H2,1H3
InChIKeyWTCPSBRPSCULMA-UHFFFAOYSA-N
XLogP1.59
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
2-tert-butyl-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 43673874
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 112668826
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 130171522
2-(pyridin-4-ylmethylamino)cycloheptane-1-carbonitrile
CID 62743142
2-[(6-methyl-3-pyridinyl)methylamino]cyclopentane-1-carbonitrile
CID 62997457
2-(pyridin-3-ylmethylamino)cycloheptane-1-carbonitrile
CID 55114369
2,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 64907975
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
2-[(4-propan-2-ylphenyl)methylamino]cycloheptane-1-carbonitrile
CID 62742638
2-[(5-methyl-1,2-oxazol-3-yl)methylamino]cycloheptane-1-carbonitrile
CID 62742459
N-[(1-methylpyrazol-4-yl)methyl]-2-pyrrolidin-2-ylcyclopentan-1-amine
CID 79544285

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile (CID 62741701) is 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile is Cn1cc(CNC2CCCCC2C#N)cn1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile?
The InChIKey is WTCPSBRPSCULMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-16-9-10(8-15-16)7-14-12-5-3-2-4-11(12)6-13/h8-9,11-12,14H,2-5,7H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile?
2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 62741701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).