1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide

C17H29N3O — CID 70967339

IUPAC1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide
SMILESCC(C)CC(C)C1CCCCC1NC(=O)c1cnn(C)c1
InChIInChI=1S/C17H29N3O/c1-12(2)9-13(3)15-7-5-6-8-16(15)19-17(21)14-10-18-20(4)11-14/h10-13,15-16H,5-9H2,1-4H3,(H,19,21)
InChIKeyZHIVGYYTXNJQES-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.39
Rot. Bonds5

About 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide

1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide (PubChem CID 70967339) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide
PubChem CID70967339
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide
SMILESCC(C)CC(C)C1CCCCC1NC(=O)c1cnn(C)c1
InChIInChI=1S/C17H29N3O/c1-12(2)9-13(3)15-7-5-6-8-16(15)19-17(21)14-10-18-20(4)11-14/h10-13,15-16H,5-9H2,1-4H3,(H,19,21)
InChIKeyZHIVGYYTXNJQES-UHFFFAOYSA-N
XLogP3.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide (CID 70967339) is 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide is CC(C)CC(C)C1CCCCC1NC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide?
The InChIKey is ZHIVGYYTXNJQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-12(2)9-13(3)15-7-5-6-8-16(15)19-17(21)14-10-18-20(4)11-14/h10-13,15-16H,5-9H2,1-4H3,(H,19,21).
What are the key properties of 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide?
1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide has a molecular weight of 291.44 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(4-methylpentan-2-yl)cyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 70967339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).