5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

C14H22N4 — CID 79872080

IUPAC5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC2CCCCC2(C)C)c1C#N
InChIInChI=1S/C14H22N4/c1-10-11(9-15)13(18(4)17-10)16-12-7-5-6-8-14(12,2)3/h12,16H,5-8H2,1-4H3
InChIKeyGOYIZYUEVUWWJA-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.98
Rot. Bonds2

About 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile

5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (PubChem CID 79872080) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
PubChem CID79872080
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC2CCCCC2(C)C)c1C#N
InChIInChI=1S/C14H22N4/c1-10-11(9-15)13(18(4)17-10)16-12-7-5-6-8-14(12,2)3/h12,16H,5-8H2,1-4H3
InChIKeyGOYIZYUEVUWWJA-UHFFFAOYSA-N
XLogP2.98
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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

5-N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazole-4,5-diamine
CID 79861729
1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile
CID 114546534
5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757333
N-(2,2-dimethylcyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridin-5-amine
CID 79828815
5-(1-azabicyclo[2.2.2]octan-3-ylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63756463
1,3-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pyrazole-4-carbonitrile
CID 63756476
5-[(1,4-dimethylpiperidin-4-yl)methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 107164074
N-(2,2-dimethylcyclohexyl)-4,5-dimethyl-1,3-thiazol-2-amine
CID 79870218
2-bromo-6-[(2,2-dimethylcyclohexyl)amino]benzonitrile
CID 114881190
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)methylamino]pyrazole-4-carbonitrile
CID 63757336
N-(2,2-dimethylcyclopentyl)-1,5-dimethylpyrazol-3-amine
CID 115921991

Frequently Asked Questions

What is the IUPAC name of 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The IUPAC name of 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile (CID 79872080) is 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile.
What is the SMILES notation for 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The canonical SMILES for 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is Cc1nn(C)c(NC2CCCCC2(C)C)c1C#N.
What is the InChIKey of 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
The InChIKey is GOYIZYUEVUWWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-10-11(9-15)13(18(4)17-10)16-12-7-5-6-8-14(12,2)3/h12,16H,5-8H2,1-4H3.
What are the key properties of 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile?
5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,2-dimethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile is sourced from PubChem (CID 79872080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).