N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide

C13H21N3O — CID 112692863

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
SMILESCc1[nH]nc(NC(=O)C2CCC(C)CC2)c1C
InChIInChI=1S/C13H21N3O/c1-8-4-6-11(7-5-8)13(17)14-12-9(2)10(3)15-16-12/h8,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyVCIGXUPCZGCHIW-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.79
Rot. Bonds2

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide (PubChem CID 112692863) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
PubChem CID112692863
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide
SMILESCc1[nH]nc(NC(=O)C2CCC(C)CC2)c1C
InChIInChI=1S/C13H21N3O/c1-8-4-6-11(7-5-8)13(17)14-12-9(2)10(3)15-16-12/h8,11H,4-7H2,1-3H3,(H2,14,15,16,17)
InChIKeyVCIGXUPCZGCHIW-UHFFFAOYSA-N
XLogP2.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)oxolane-3-carboxamide
CID 115609939
(3S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-3-carboxamide
CID 104618674
N-[4-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]cyclopropanecarboxamide
CID 166190086
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methyloxolane-2-carboxamide
CID 115735280
(2S)-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-2-carboxamide
CID 104914702
3-N-(4,5-dimethyl-1H-pyrazol-3-yl)piperidine-1,3-dicarboxamide
CID 112689240
1-cyclopentyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 115609973
3-[(4,5-dimethyl-1H-pyrazol-3-yl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 113433457
2-cyclopentyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610162
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-ethylpiperidine-2-carboxamide
CID 114429513
1-(2,2-dimethylpropanoyl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 104620104
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2-methyl-2-(methylamino)propanamide
CID 104618736

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide (CID 112692863) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide is Cc1[nH]nc(NC(=O)C2CCC(C)CC2)c1C.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is VCIGXUPCZGCHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-8-4-6-11(7-5-8)13(17)14-12-9(2)10(3)15-16-12/h8,11H,4-7H2,1-3H3,(H2,14,15,16,17).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 112692863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).