N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide

C13H21N3O — CID 118218790

IUPACN-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(C)(C)CC2)cn1
InChIInChI=1S/C13H21N3O/c1-13(2)6-4-11(5-7-13)15-12(17)10-8-14-16(3)9-10/h8-9,11H,4-7H2,1-3H3,(H,15,17)
InChIKeyMDBPLMPHHGKZTB-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.12
Rot. Bonds2

About N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide

N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide (PubChem CID 118218790) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
PubChem CID118218790
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)NC2CCC(C)(C)CC2)cn1
InChIInChI=1S/C13H21N3O/c1-13(2)6-4-11(5-7-13)15-12(17)10-8-14-16(3)9-10/h8-9,11H,4-7H2,1-3H3,(H,15,17)
InChIKeyMDBPLMPHHGKZTB-UHFFFAOYSA-N
XLogP2.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-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-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide (CID 118218790) is N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)NC2CCC(C)(C)CC2)cn1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is MDBPLMPHHGKZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2)6-4-11(5-7-13)15-12(17)10-8-14-16(3)9-10/h8-9,11H,4-7H2,1-3H3,(H,15,17).
What are the key properties of N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide?
N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 118218790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).