5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide

C12H19N3O — CID 20918273

IUPAC5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C)CC2)n[nH]1
InChIInChI=1S/C12H19N3O/c1-8-3-5-10(6-4-8)13-12(16)11-7-9(2)14-15-11/h7-8,10H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQIWROJIDXGXMPW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.03
Rot. Bonds2

About 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide

5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide (PubChem CID 20918273) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
PubChem CID20918273
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCC(C)CC2)n[nH]1
InChIInChI=1S/C12H19N3O/c1-8-3-5-10(6-4-8)13-12(16)11-7-9(2)14-15-11/h7-8,10H,3-6H2,1-2H3,(H,13,16)(H,14,15)
InChIKeyQIWROJIDXGXMPW-UHFFFAOYSA-N
XLogP2.03
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide (CID 20918273) is 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCC(C)CC2)n[nH]1.
What is the InChIKey of 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QIWROJIDXGXMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-3-5-10(6-4-8)13-12(16)11-7-9(2)14-15-11/h7-8,10H,3-6H2,1-2H3,(H,13,16)(H,14,15).
What are the key properties of 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(4-methylcyclohexyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20918273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).