2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid

C20H19ClN2O3 — CID 134602849

IUPAC2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C20H19ClN2O3/c1-20(2,19(24)25)26-13-16-12-18(14-6-4-3-5-7-14)23(22-16)17-10-8-15(21)9-11-17/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyZCCPGIVIKSDGCM-UHFFFAOYSA-N
MW370.84 g/mol
LogP4.57
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid

2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid (PubChem CID 134602849) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid
PubChem CID134602849
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid
SMILESCC(C)(OCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1)C(=O)O
InChIInChI=1S/C20H19ClN2O3/c1-20(2,19(24)25)26-13-16-12-18(14-6-4-3-5-7-14)23(22-16)17-10-8-15(21)9-11-17/h3-12H,13H2,1-2H3,(H,24,25)
InChIKeyZCCPGIVIKSDGCM-UHFFFAOYSA-N
XLogP4.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid (CID 134602849) is 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid is CC(C)(OCc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1)C(=O)O.
What is the InChIKey of 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid?
The InChIKey is ZCCPGIVIKSDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-20(2,19(24)25)26-13-16-12-18(14-6-4-3-5-7-14)23(22-16)17-10-8-15(21)9-11-17/h3-12H,13H2,1-2H3,(H,24,25).
What are the key properties of 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid?
2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid has a molecular weight of 370.84 g/mol, XLogP of 4.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)-5-phenylpyrazol-3-yl]methoxy]-2-methylpropanoic acid is sourced from PubChem (CID 134602849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).