2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile

C14H22N4 — CID 112668826

IUPAC2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
SMILESCCc1nn(C)cc1CNC1CCCCC1C#N
InChIInChI=1S/C14H22N4/c1-3-13-12(10-18(2)17-13)9-16-14-7-5-4-6-11(14)8-15/h10-11,14,16H,3-7,9H2,1-2H3
InChIKeyTYBTUNSVDRBGAN-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.15
Rot. Bonds4

About 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile

2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile (PubChem CID 112668826) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
PubChem CID112668826
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
SMILESCCc1nn(C)cc1CNC1CCCCC1C#N
InChIInChI=1S/C14H22N4/c1-3-13-12(10-18(2)17-13)9-16-14-7-5-4-6-11(14)8-15/h10-11,14,16H,3-7,9H2,1-2H3
InChIKeyTYBTUNSVDRBGAN-UHFFFAOYSA-N
XLogP2.15
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
CID 103893993
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 112668413
2-[(1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 62741701
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]cyclopentane-1-carbonitrile
CID 79604601
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 103893990
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile?
The IUPAC name of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile (CID 112668826) is 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile.
What is the SMILES notation for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile?
The canonical SMILES for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile is CCc1nn(C)cc1CNC1CCCCC1C#N.
What is the InChIKey of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile?
The InChIKey is TYBTUNSVDRBGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-13-12(10-18(2)17-13)9-16-14-7-5-4-6-11(14)8-15/h10-11,14,16H,3-7,9H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile?
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile is sourced from PubChem (CID 112668826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).