2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid

C15H17ClN2O2 — CID 79434391

IUPAC2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCCc1cc(CC(C(=O)O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H17ClN2O2/c1-3-12-8-13(18(2)17-12)9-14(15(19)20)10-4-6-11(16)7-5-10/h4-8,14H,3,9H2,1-2H3,(H,19,20)
InChIKeyPRZAUIBRMUDPEF-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.05
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid

2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid (PubChem CID 79434391) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
PubChem CID79434391
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
SMILESCCc1cc(CC(C(=O)O)c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H17ClN2O2/c1-3-12-8-13(18(2)17-12)9-14(15(19)20)10-4-6-11(16)7-5-10/h4-8,14H,3,9H2,1-2H3,(H,19,20)
InChIKeyPRZAUIBRMUDPEF-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic 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-chlorophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431093
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
2-(4-chlorophenyl)-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79433325
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methoxy-3-oxopropanoic acid
CID 103973244
1-(4-chlorophenoxy)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-amine
CID 105160098
1-(4-aminophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanol
CID 106695553
3-(3,5-diethylpyrazol-1-yl)-2-phenylpropanoic acid
CID 82692790
2-(3-bromophenyl)-3-(1,3-diethylpyrazol-5-yl)propanoic acid
CID 79431382
3-(4-chloro-1-ethyl-3-methylpyrazol-5-yl)-2-(4-chlorophenyl)propanoic acid
CID 79430519
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-1-amine
CID 79443187
2-(3-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 79443035
2-(4-chlorophenyl)-3-(1-ethylpyrazol-4-yl)propanoic acid
CID 79440235

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The IUPAC name of 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid (CID 79434391) is 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid is CCc1cc(CC(C(=O)O)c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
The InChIKey is PRZAUIBRMUDPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-3-12-8-13(18(2)17-12)9-14(15(19)20)10-4-6-11(16)7-5-10/h4-8,14H,3,9H2,1-2H3,(H,19,20).
What are the key properties of 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid?
2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid has a molecular weight of 292.77 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid is sourced from PubChem (CID 79434391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).