5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C14H22N4 — CID 63757333

IUPAC5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCC1CCC(Nc2c(C#N)c(C)nn2C)CC1
InChIInChI=1S/C14H22N4/c1-4-11-5-7-12(8-6-11)16-14-13(9-15)10(2)17-18(14)3/h11-12,16H,4-8H2,1-3H3
InChIKeyOSDLMHFLRARIMY-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.98
Rot. Bonds3

About 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 63757333) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID63757333
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCCC1CCC(Nc2c(C#N)c(C)nn2C)CC1
InChIInChI=1S/C14H22N4/c1-4-11-5-7-12(8-6-11)16-14-13(9-15)10(2)17-18(14)3/h11-12,16H,4-8H2,1-3H3
InChIKeyOSDLMHFLRARIMY-UHFFFAOYSA-N
XLogP2.98
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile
CID 114546534
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756463
5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 79872080
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)methylamino]pyrazole-4-carbonitrile
CID 63757336
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757160
1-ethyl-N-(4-ethylcyclohexyl)-3-methyl-4-nitropyrazol-5-amine
CID 66011038
1,3-dimethyl-5-[2-(methylamino)ethylamino]pyrazole-4-carbonitrile
CID 63758903
1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile
CID 63756476
5-(2-bicyclo[2.2.1]heptanylmethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757854
1,3-dimethyl-5-(3-piperidin-4-yloxypropylamino)pyrazole-4-carbonitrile
CID 63870517
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766

Frequently Asked Questions

What is the IUPAC name of 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 63757333) is 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is CCC1CCC(Nc2c(C#N)c(C)nn2C)CC1.
What is the InChIKey of 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is OSDLMHFLRARIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-11-5-7-12(8-6-11)16-14-13(9-15)10(2)17-18(14)3/h11-12,16H,4-8H2,1-3H3.
What are the key properties of 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 63757333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).