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

C16H27N3O — CID 18154690

IUPAC1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C16H27N3O/c1-5-16(2,3)13-6-8-14(9-7-13)18-15(20)12-10-17-19(4)11-12/h10-11,13-14H,5-9H2,1-4H3,(H,18,20)
InChIKeyGJQDIHGBQMROMM-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.14
Rot. Bonds4

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

1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide (PubChem CID 18154690) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide
PubChem CID18154690
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide
SMILESCCC(C)(C)C1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C16H27N3O/c1-5-16(2,3)13-6-8-14(9-7-13)18-15(20)12-10-17-19(4)11-12/h10-11,13-14H,5-9H2,1-4H3,(H,18,20)
InChIKeyGJQDIHGBQMROMM-UHFFFAOYSA-N
XLogP3.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide (CID 18154690) is 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide is CCC(C)(C)C1CCC(NC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide?
The InChIKey is GJQDIHGBQMROMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-16(2,3)13-6-8-14(9-7-13)18-15(20)12-10-17-19(4)11-12/h10-11,13-14H,5-9H2,1-4H3,(H,18,20).
What are the key properties of 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide?
1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 18154690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).