7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid

C18H29N3O3 — CID 119350736

IUPAC7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
SMILESCn1cc(C(=O)NCCCCCCC(=O)O)c(C2CCCCC2)n1
InChIInChI=1S/C18H29N3O3/c1-21-13-15(17(20-21)14-9-5-4-6-10-14)18(24)19-12-8-3-2-7-11-16(22)23/h13-14H,2-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyIAZNBEDJQNWVCQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.23
Rot. Bonds9

About 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid

7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid (PubChem CID 119350736) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
PubChem CID119350736
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid
SMILESCn1cc(C(=O)NCCCCCCC(=O)O)c(C2CCCCC2)n1
InChIInChI=1S/C18H29N3O3/c1-21-13-15(17(20-21)14-9-5-4-6-10-14)18(24)19-12-8-3-2-7-11-16(22)23/h13-14H,2-12H2,1H3,(H,19,24)(H,22,23)
InChIKeyIAZNBEDJQNWVCQ-UHFFFAOYSA-N
XLogP3.23
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

5-[(1,3-dimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 103790923
3-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119347771
4-[(5-cyclopropyl-1-methylpyrazole-4-carbonyl)amino]butanoic acid
CID 119352510
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
8-[(2-cyclopentylpyrazole-3-carbonyl)amino]octanoic acid
CID 120535691
3-cyclopentyl-N,1-dimethyl-N-[3-(prop-2-enoylamino)propyl]pyrazole-4-carboxamide
CID 166424508
7-(cyclooctanecarbonylamino)heptanoic acid
CID 65019467
7-[(2-cyclopentyl-4-methyl-1,3-thiazole-5-carbonyl)amino]heptanoic acid
CID 119227413
6-[(3-methylimidazole-4-carbonyl)amino]hexanoic acid
CID 103510365
3-cyclohexyl-1-methyl-N-(oxan-3-ylmethylsulfonyl)pyrazole-4-carboxamide
CID 136542046
1-(3-cyclopropyl-1-methylpyrazol-4-yl)ethanone
CID 83873172
1-methyl-3-(octadecylcarbamoyl)pyrazole-4-carboxylic acid
CID 19496514

Frequently Asked Questions

What is the IUPAC name of 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid?
The IUPAC name of 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid (CID 119350736) is 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid.
What is the SMILES notation for 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid?
The canonical SMILES for 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid is Cn1cc(C(=O)NCCCCCCC(=O)O)c(C2CCCCC2)n1.
What is the InChIKey of 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid?
The InChIKey is IAZNBEDJQNWVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-21-13-15(17(20-21)14-9-5-4-6-10-14)18(24)19-12-8-3-2-7-11-16(22)23/h13-14H,2-12H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid?
7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid has a molecular weight of 335.45 g/mol, XLogP of 3.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-cyclohexyl-1-methylpyrazole-4-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 119350736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).