methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate

C20H19ClN2O3 — CID 14497605

IUPACmethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
SMILESCOC(=O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H19ClN2O3/c1-25-18-10-8-17(9-11-18)23-19(14-3-5-15(21)6-4-14)13-16(22-23)7-12-20(24)26-2/h3-6,8-11,13H,7,12H2,1-2H3
InChIKeyKSHGAHDFMPJPKH-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.31
Rot. Bonds6

About methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate

methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate (PubChem CID 14497605) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
PubChem CID14497605
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Namemethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
SMILESCOC(=O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1
InChIInChI=1S/C20H19ClN2O3/c1-25-18-10-8-17(9-11-18)23-19(14-3-5-15(21)6-4-14)13-16(22-23)7-12-20(24)26-2/h3-6,8-11,13H,7,12H2,1-2H3
InChIKeyKSHGAHDFMPJPKH-UHFFFAOYSA-N
XLogP4.31
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate 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

Tepoxalin
CID 59757
5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
Cav 2.2 blocker 1
CID 73292924
Jnj-17156516
CID 11488979
N-{3-[5-(4-Chloro-phenyl)-1-(4-methoxy-phenyl)-1H-pyrazol-3-yl]-1-methyl-prop-2-ynyl}-N-hydroxy-acetamide
CID 9822795
3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanoic acid
CID 10320262
2-(3-Chlorophenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10343558
2-(4-Methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10366068
2-(4-Chlorophenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10433726
2-(4-Chlorophenyl)-3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoic acid
CID 11754311
3-[5-(4-Chlorophenyl)-1-(2-methoxyphenyl)pyrazol-3-yl]propan-1-ol
CID 14497430

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate?
The IUPAC name of methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate (CID 14497605) is methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate is COC(=O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(OC)cc2)n1.
What is the InChIKey of methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate?
The InChIKey is KSHGAHDFMPJPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-25-18-10-8-17(9-11-18)23-19(14-3-5-15(21)6-4-14)13-16(22-23)7-12-20(24)26-2/h3-6,8-11,13H,7,12H2,1-2H3.
What are the key properties of methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate?
methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate has a molecular weight of 370.84 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate is sourced from PubChem (CID 14497605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).