2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid

C23H16Cl2N2O2 — CID 20542736

IUPAC2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C23H16Cl2N2O2/c24-17-11-12-20(19(25)13-17)27-23(16-9-5-2-6-10-16)18(14-21(28)29)22(26-27)15-7-3-1-4-8-15/h1-13H,14H2,(H,28,29)
InChIKeyDYWHKAGQNBZSKC-UHFFFAOYSA-N
MW423.30 g/mol
LogP6.14
Rot. Bonds5

About 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid

2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid (PubChem CID 20542736) has the molecular formula C23H16Cl2N2O2 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
PubChem CID20542736
Molecular FormulaC23H16Cl2N2O2
Molecular Weight423.30 g/mol
Exact Mass422.06
IUPAC Name2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
SMILESO=C(O)Cc1c(-c2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1
InChIInChI=1S/C23H16Cl2N2O2/c24-17-11-12-20(19(25)13-17)27-23(16-9-5-2-6-10-16)18(14-21(28)29)22(26-27)15-7-3-1-4-8-15/h1-13H,14H2,(H,28,29)
InChIKeyDYWHKAGQNBZSKC-UHFFFAOYSA-N
XLogP6.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-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

2-[1-(3,4-dimethylphenyl)-3,5-diphenylpyrazol-4-yl]acetic acid
CID 20542757
2-[1-(2,4-dichlorophenyl)-3-[(4-fluorophenyl)carbamoyl]-5-(4-methylphenyl)pyrazol-4-yl]acetic acid
CID 69228719
ethyl 1-(2,4-dichlorophenyl)-4-methyl-3-phenylpyrazole-5-carboxylate
CID 139231790
5-(4-chlorophenyl)-4-(cyanomethyl)-1-(2,4-dichlorophenyl)pyrazole-3-carboxylic acid
CID 19356255
[1-(2,4-dichlorophenyl)-4-ethyl-5-(4-phenoxyphenyl)pyrazol-3-yl] ethaneperoxoate
CID 175736161
[1-(2,4-dichlorophenyl)-4-ethyl-5-(4-methylphenyl)pyrazol-3-yl] ethaneperoxoate
CID 175736151
2-[[1-(2,4-dichlorophenyl)-4-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 24748688
1-(2,4-dichlorophenyl)-3-phenylpyrazol-5-amine
CID 43381347
1-(2,4-dichlorophenyl)-5-phenylpyrazole-3-carboxylate
CID 6986761
methyl 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-(fluoromethyl)pyrazole-3-carboxylate
CID 19356254
1-(2,4-dichlorophenyl)-4-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid
CID 68802770
2-[1-[[4-[(4-chlorobenzoyl)amino]phenyl]methyl]-3,5-diphenylpyrazol-4-yl]acetic acid
CID 53345923

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid (CID 20542736) is 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid is O=C(O)Cc1c(-c2ccccc2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccccc1.
What is the InChIKey of 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid?
The InChIKey is DYWHKAGQNBZSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl2N2O2/c24-17-11-12-20(19(25)13-17)27-23(16-9-5-2-6-10-16)18(14-21(28)29)22(26-27)15-7-3-1-4-8-15/h1-13H,14H2,(H,28,29).
What are the key properties of 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid?
2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid has a molecular weight of 423.30 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dichlorophenyl)-3,5-diphenylpyrazol-4-yl]acetic acid is sourced from PubChem (CID 20542736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).