1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide

C13H23N3O — CID 86915318

IUPAC1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1cnn(C)c1
InChIInChI=1S/C13H23N3O/c1-10(2)6-5-7-11(3)15-13(17)12-8-14-16(4)9-12/h8-11H,5-7H2,1-4H3,(H,15,17)
InChIKeySBYVCFFCLWEHKN-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.36
Rot. Bonds6

About 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide

1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide (PubChem CID 86915318) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
PubChem CID86915318
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide
SMILESCC(C)CCCC(C)NC(=O)c1cnn(C)c1
InChIInChI=1S/C13H23N3O/c1-10(2)6-5-7-11(3)15-13(17)12-8-14-16(4)9-12/h8-11H,5-7H2,1-4H3,(H,15,17)
InChIKeySBYVCFFCLWEHKN-UHFFFAOYSA-N
XLogP2.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 114299684
1-methyl-N-propan-2-ylpyrazole-4-carboxamide;molecular hydrogen
CID 169175366
(2S)-4-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 28742395
N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-carboxamide
CID 61247345
1-methyl-N-[2-(methylamino)propyl]pyrazole-4-carboxamide
CID 103512630
(2S)-3-methyl-2-[(1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 28742450
N-(1-cyanoethyl)-1-methylpyrazole-4-carboxamide
CID 61120053
2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 43630219
N-(6-methylheptan-2-yl)-4-sulfanylbenzamide
CID 107025136
(2R)-5-amino-2-[(1-methylpyrazole-4-carbonyl)amino]-5-oxopentanoic acid
CID 28742679
1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
CID 44823900
6-amino-N-(6-methylheptan-2-yl)pyridine-3-carboxamide
CID 62073113

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide (CID 86915318) is 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide is CC(C)CCCC(C)NC(=O)c1cnn(C)c1.
What is the InChIKey of 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide?
The InChIKey is SBYVCFFCLWEHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)6-5-7-11(3)15-13(17)12-8-14-16(4)9-12/h8-11H,5-7H2,1-4H3,(H,15,17).
What are the key properties of 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide?
1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(6-methylheptan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 86915318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).