N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide

C15H25N3O — CID 166871994

IUPACN-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC1CCC(CNC(=O)c2ccnn2C(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-11(2)18-14(8-9-17-18)15(19)16-10-13-6-4-12(3)5-7-13/h8-9,11-13H,4-7,10H2,1-3H3,(H,16,19)
InChIKeyPAIGUYRLBQEAOW-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds4

About N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 166871994) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID166871994
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC1CCC(CNC(=O)c2ccnn2C(C)C)CC1
InChIInChI=1S/C15H25N3O/c1-11(2)18-14(8-9-17-18)15(19)16-10-13-6-4-12(3)5-7-13/h8-9,11-13H,4-7,10H2,1-3H3,(H,16,19)
InChIKeyPAIGUYRLBQEAOW-UHFFFAOYSA-N
XLogP3.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide 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 N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 166871994) is N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide is CC1CCC(CNC(=O)c2ccnn2C(C)C)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is PAIGUYRLBQEAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)18-14(8-9-17-18)15(19)16-10-13-6-4-12(3)5-7-13/h8-9,11-13H,4-7,10H2,1-3H3,(H,16,19).
What are the key properties of N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 166871994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).