3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide

C13H22N4O — CID 79110670

IUPAC3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESCNC1CCC(NC(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C13H22N4O/c1-8-12(9(2)17-16-8)13(18)15-11-6-4-10(14-3)5-7-11/h10-11,14H,4-7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWNTLUSHXEZETQK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.29
Rot. Bonds3

About 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide

3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide (PubChem CID 79110670) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide
PubChem CID79110670
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide
SMILESCNC1CCC(NC(=O)c2c(C)n[nH]c2C)CC1
InChIInChI=1S/C13H22N4O/c1-8-12(9(2)17-16-8)13(18)15-11-6-4-10(14-3)5-7-11/h10-11,14H,4-7H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyWNTLUSHXEZETQK-UHFFFAOYSA-N
XLogP1.29
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide (CID 79110670) is 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide is CNC1CCC(NC(=O)c2c(C)n[nH]c2C)CC1.
What is the InChIKey of 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide?
The InChIKey is WNTLUSHXEZETQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8-12(9(2)17-16-8)13(18)15-11-6-4-10(14-3)5-7-11/h10-11,14H,4-7H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide?
3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(methylamino)cyclohexyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 79110670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).