5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide

C16H26ClN3O — CID 24978919

IUPAC5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H26ClN3O/c1-10(2)9-20-15(17)14(12(4)19-20)16(21)18-13-7-5-11(3)6-8-13/h10-11,13H,5-9H2,1-4H3,(H,18,21)
InChIKeyGWNSHIKLMZJOOE-UHFFFAOYSA-N
MW311.86 g/mol
LogP3.81
Rot. Bonds4

About 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide

5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 24978919) has the molecular formula C16H26ClN3O and a molecular weight of 311.86 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID24978919
Molecular FormulaC16H26ClN3O
Molecular Weight311.86 g/mol
Exact Mass311.18
IUPAC Name5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1nn(CC(C)C)c(Cl)c1C(=O)NC1CCC(C)CC1
InChIInChI=1S/C16H26ClN3O/c1-10(2)9-20-15(17)14(12(4)19-20)16(21)18-13-7-5-11(3)6-8-13/h10-11,13H,5-9H2,1-4H3,(H,18,21)
InChIKeyGWNSHIKLMZJOOE-UHFFFAOYSA-N
XLogP3.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.86
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 24978919) is 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide is Cc1nn(CC(C)C)c(Cl)c1C(=O)NC1CCC(C)CC1.
What is the InChIKey of 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is GWNSHIKLMZJOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3O/c1-10(2)9-20-15(17)14(12(4)19-20)16(21)18-13-7-5-11(3)6-8-13/h10-11,13H,5-9H2,1-4H3,(H,18,21).
What are the key properties of 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide?
5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 311.86 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-(4-methylcyclohexyl)-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 24978919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).