1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid

C14H23N3O3 — CID 44823900

IUPAC1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C14H23N3O3/c1-9(2)6-5-7-10(3)16-13(18)12-11(14(19)20)8-15-17(12)4/h8-10H,5-7H2,1-4H3,(H,16,18)(H,19,20)
InChIKeySISFYORFJGBGLR-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.06
Rot. Bonds7

About 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid

1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid (PubChem CID 44823900) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
PubChem CID44823900
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
SMILESCC(C)CCCC(C)NC(=O)c1c(C(=O)O)cnn1C
InChIInChI=1S/C14H23N3O3/c1-9(2)6-5-7-10(3)16-13(18)12-11(14(19)20)8-15-17(12)4/h8-10H,5-7H2,1-4H3,(H,16,18)(H,19,20)
InChIKeySISFYORFJGBGLR-UHFFFAOYSA-N
XLogP2.06
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid (CID 44823900) is 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid is CC(C)CCCC(C)NC(=O)c1c(C(=O)O)cnn1C.
What is the InChIKey of 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid?
The InChIKey is SISFYORFJGBGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(2)6-5-7-10(3)16-13(18)12-11(14(19)20)8-15-17(12)4/h8-10H,5-7H2,1-4H3,(H,16,18)(H,19,20).
What are the key properties of 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid?
1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 44823900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).