2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid

C13H19N3O3 — CID 19623357

IUPAC2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C13H19N3O3/c17-12(18)9-16-8-7-11(15-16)13(19)14-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,14,19)(H,17,18)
InChIKeyXVYMPLMUKHDPKB-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds4

About 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid

2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19623357) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19623357
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)NC2CCCCCC2)n1
InChIInChI=1S/C13H19N3O3/c17-12(18)9-16-8-7-11(15-16)13(19)14-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,14,19)(H,17,18)
InChIKeyXVYMPLMUKHDPKB-UHFFFAOYSA-N
XLogP1.42
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic 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

N-cyclohexyl-1-[(2,6-dichlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4867173
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 5300144
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
N-cyclopropyl-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 19273362
1-ethyl-N-[(1S,2S)-2-hydroxycyclooctyl]pyrazole-3-carboxamide
CID 146043892
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-(1-methylpiperidin-4-yl)-1-(phenoxymethyl)pyrazole-3-carboxamide
CID 19271179
2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075
N-[3-(cyclohexylcarbamoyl)-4-ethyl-5-methylthiophen-2-yl]-1-ethylpyrazole-3-carboxamide
CID 17373078
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
1-[2-oxo-2-(spiro[5.5]undecan-5-ylamino)ethyl]pyrazole-3-carboxylic acid
CID 167831674
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19623357) is 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(C(=O)NC2CCCCCC2)n1.
What is the InChIKey of 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is XVYMPLMUKHDPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-12(18)9-16-8-7-11(15-16)13(19)14-10-5-3-1-2-4-6-10/h7-8,10H,1-6,9H2,(H,14,19)(H,17,18).
What are the key properties of 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19623357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).