5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile

C11H16N4 — CID 684453

IUPAC5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2CCCCC2)c1N
InChIInChI=1S/C11H16N4/c12-6-10-7-14-15(11(10)13)8-9-4-2-1-3-5-9/h7,9H,1-5,8,13H2
InChIKeyXWANTEITKIFQDI-UHFFFAOYSA-N
MW204.28 g/mol
LogP1.92
Rot. Bonds2

About 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile

5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile (PubChem CID 684453) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile
PubChem CID684453
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile
SMILESN#Cc1cnn(CC2CCCCC2)c1N
InChIInChI=1S/C11H16N4/c12-6-10-7-14-15(11(10)13)8-9-4-2-1-3-5-9/h7,9H,1-5,8,13H2
InChIKeyXWANTEITKIFQDI-UHFFFAOYSA-N
XLogP1.92
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-amino-1-(cyclohexylmethyl)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

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile (CID 684453) is 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile is N#Cc1cnn(CC2CCCCC2)c1N.
What is the InChIKey of 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile?
The InChIKey is XWANTEITKIFQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4/c12-6-10-7-14-15(11(10)13)8-9-4-2-1-3-5-9/h7,9H,1-5,8,13H2.
What are the key properties of 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile?
5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile has a molecular weight of 204.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(cyclohexylmethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 684453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).