1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile

C12H18N4 — CID 114546534

IUPAC1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC2CCC(C)C2)c1C#N
InChIInChI=1S/C12H18N4/c1-8-4-5-10(6-8)14-12-11(7-13)9(2)15-16(12)3/h8,10,14H,4-6H2,1-3H3
InChIKeyXEXKZNYDAJXSFY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.20
Rot. Bonds2

About 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile (PubChem CID 114546534) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile
PubChem CID114546534
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile
SMILESCc1nn(C)c(NC2CCC(C)C2)c1C#N
InChIInChI=1S/C12H18N4/c1-8-4-5-10(6-8)14-12-11(7-13)9(2)15-16(12)3/h8,10,14H,4-6H2,1-3H3
InChIKeyXEXKZNYDAJXSFY-UHFFFAOYSA-N
XLogP2.20
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(4-ethylcyclohexyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757333
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
5-(ethylamino)-1,3-dimethylpyrazole-4-carbonitrile
CID 63757322
1,3-dimethyl-5-[(3-methylcyclohexyl)amino]pyrazole-4-carbothioamide
CID 63756865
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-[[(4-cyano-1,3-dimethylpyrazol-5-yl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115441125
5-[2-(dimethylamino)ethylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757321
1,3-dimethyl-5-(1-piperidin-3-ylethylamino)pyrazole-4-carbonitrile
CID 63758031
1,3-dimethyl-5-[(1-methylpiperidin-3-yl)methylamino]pyrazole-4-carbonitrile
CID 63757336
1,3,5-trimethyl-N-(4-methylcyclohexyl)pyrazol-4-amine
CID 28664348

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile (CID 114546534) is 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile is Cc1nn(C)c(NC2CCC(C)C2)c1C#N.
What is the InChIKey of 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile?
The InChIKey is XEXKZNYDAJXSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-8-4-5-10(6-8)14-12-11(7-13)9(2)15-16(12)3/h8,10,14H,4-6H2,1-3H3.
What are the key properties of 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile has a molecular weight of 218.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[(3-methylcyclopentyl)amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 114546534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).