2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid

C25H18Cl2FN3O3 — CID 69228973

IUPAC2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1c(C(=O)NCc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2FN3O3/c26-17-9-7-16(8-10-17)24-19(13-22(32)33)23(30-31(24)21-4-2-1-3-20(21)27)25(34)29-14-15-5-11-18(28)12-6-15/h1-12H,13-14H2,(H,29,34)(H,32,33)
InChIKeyKAOWCECCQLZZJL-UHFFFAOYSA-N
MW498.34 g/mol
LogP5.54
Rot. Bonds7

About 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid

2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid (PubChem CID 69228973) has the molecular formula C25H18Cl2FN3O3 and a molecular weight of 498.34 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid
PubChem CID69228973
Molecular FormulaC25H18Cl2FN3O3
Molecular Weight498.34 g/mol
Exact Mass497.07
IUPAC Name2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1c(C(=O)NCc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C25H18Cl2FN3O3/c26-17-9-7-16(8-10-17)24-19(13-22(32)33)23(30-31(24)21-4-2-1-3-20(21)27)25(34)29-14-15-5-11-18(28)12-6-15/h1-12H,13-14H2,(H,29,34)(H,32,33)
InChIKeyKAOWCECCQLZZJL-UHFFFAOYSA-N
XLogP5.54
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.34
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-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

4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
CID 25027058
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]pyrazol-4-yl]acetic acid
CID 67265122
CID 161262549
CID 161262549
2-[1-(2,4-dichlorophenyl)-3-[(4-fluorophenyl)carbamoyl]-5-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 69228719
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 7603195
1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(2,2-difluoropropyl)-4-(2-hydroxyethyl)pyrazole-3-carboxamide
CID 42637819
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-(4-hydroxy-4-phenylpiperidine-1-carbonyl)pyrazol-4-yl]acetic acid
CID 67265364
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(3,4-difluorophenoxy)piperidine-1-carbonyl]pyrazol-4-yl]acetic acid
CID 67265331
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-(4-fluorophenyl)-4-hydroxypiperidine-1-carbonyl]pyrazol-4-yl]acetamide
CID 25024104
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[4-[3-(trifluoromethyl)phenyl]piperidine-1-carbonyl]pyrazol-4-yl]acetic acid
CID 67265397
4-[(2Z)-2-amino-2-hydroxyiminoethyl]-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-piperidin-1-ylpyrazole-3-carboxamide
CID 25024108
1-(2-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42758626

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid (CID 69228973) is 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid is O=C(O)Cc1c(C(=O)NCc2ccc(F)cc2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid?
The InChIKey is KAOWCECCQLZZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2FN3O3/c26-17-9-7-16(8-10-17)24-19(13-22(32)33)23(30-31(24)21-4-2-1-3-20(21)27)25(34)29-14-15-5-11-18(28)12-6-15/h1-12H,13-14H2,(H,29,34)(H,32,33).
What are the key properties of 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid?
2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid has a molecular weight of 498.34 g/mol, XLogP of 5.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-5-(4-chlorophenyl)-3-[(4-fluorophenyl)methylcarbamoyl]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 69228973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).