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

C14H15N3O3 — CID 19623363

IUPAC2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c18-13(19)10-17-9-7-12(16-17)14(20)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,15,20)(H,18,19)
InChIKeyXEKJMVWJGBFTJB-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.94
Rot. Bonds6

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

2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid (PubChem CID 19623363) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
PubChem CID19623363
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1ccc(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C14H15N3O3/c18-13(19)10-17-9-7-12(16-17)14(20)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,15,20)(H,18,19)
InChIKeyXEKJMVWJGBFTJB-UHFFFAOYSA-N
XLogP0.94
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-(2-phenylethylcarbamoyl)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

2-[3-[2-(3,4-diethoxyphenyl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19623434
2-[3-(2-pyrazol-1-ylethylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623378
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 35327322
2-[3-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19623408
1-methyl-6-oxo-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 42161813
N-[2-(4-hydroxyphenyl)ethyl]-1-[(4-phenylphenoxy)methyl]pyrazole-3-carboxamide
CID 35325440
2-[3-[3-(4-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500273
2-[3-(cycloheptylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19623357
2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500222
2-[3-(pyridin-4-ylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19500075
2-[3-[ethyl(phenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19623365
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid (CID 19623363) is 2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1ccc(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid?
The InChIKey is XEKJMVWJGBFTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c18-13(19)10-17-9-7-12(16-17)14(20)15-8-6-11-4-2-1-3-5-11/h1-5,7,9H,6,8,10H2,(H,15,20)(H,18,19).
What are the key properties of 2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid?
2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-phenylethylcarbamoyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 19623363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).