(2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid

C26H23ClN2O3 — CID 131974604

IUPAC(2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid
SMILESC[C@H](CCOc1ccccc1-c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C26H23ClN2O3/c1-18(26(30)31)15-16-32-25-14-8-6-12-21(25)23-17-24(20-11-5-7-13-22(20)27)29(28-23)19-9-3-2-4-10-19/h2-14,17-18H,15-16H2,1H3,(H,30,31)/t18-/m1/s1
InChIKeyNIPFPAAULPYRMT-GOSISDBHSA-N
MW446.93 g/mol
LogP6.35
Rot. Bonds8

About (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid

(2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid (PubChem CID 131974604) has the molecular formula C26H23ClN2O3 and a molecular weight of 446.93 g/mol. Its IUPAC name is (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid
PubChem CID131974604
Molecular FormulaC26H23ClN2O3
Molecular Weight446.93 g/mol
Exact Mass446.14
IUPAC Name(2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid
SMILESC[C@H](CCOc1ccccc1-c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(=O)O
InChIInChI=1S/C26H23ClN2O3/c1-18(26(30)31)15-16-32-25-14-8-6-12-21(25)23-17-24(20-11-5-7-13-22(20)27)29(28-23)19-9-3-2-4-10-19/h2-14,17-18H,15-16H2,1H3,(H,30,31)/t18-/m1/s1
InChIKeyNIPFPAAULPYRMT-GOSISDBHSA-N
XLogP6.35
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.93
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid?
The IUPAC name of (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid (CID 131974604) is (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid.
What is the SMILES notation for (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid?
The canonical SMILES for (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid is C[C@H](CCOc1ccccc1-c1cc(-c2ccccc2Cl)n(-c2ccccc2)n1)C(=O)O.
What is the InChIKey of (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid?
The InChIKey is NIPFPAAULPYRMT-GOSISDBHSA-N. The full InChI is InChI=1S/C26H23ClN2O3/c1-18(26(30)31)15-16-32-25-14-8-6-12-21(25)23-17-24(20-11-5-7-13-22(20)27)29(28-23)19-9-3-2-4-10-19/h2-14,17-18H,15-16H2,1H3,(H,30,31)/t18-/m1/s1.
What are the key properties of (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid?
(2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid has a molecular weight of 446.93 g/mol, XLogP of 6.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-[5-(2-chlorophenyl)-1-phenylpyrazol-3-yl]phenoxy]-2-methylbutanoic acid is sourced from PubChem (CID 131974604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).