(2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid

C24H25ClN2O4 — CID 134587198

IUPAC(2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid
SMILESCC[C@@](C)(OCc1cc(-c2cccc(OC3CC3)c2)n(-c2ccccc2Cl)n1)C(=O)O
InChIInChI=1S/C24H25ClN2O4/c1-3-24(2,23(28)29)30-15-17-14-22(27(26-17)21-10-5-4-9-20(21)25)16-7-6-8-19(13-16)31-18-11-12-18/h4-10,13-14,18H,3,11-12,15H2,1-2H3,(H,28,29)/t24-/m1/s1
InChIKeyGMVVYVHASOEGGH-XMMPIXPASA-N
MW440.93 g/mol
LogP5.50
Rot. Bonds9

About (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid

(2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid (PubChem CID 134587198) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid
PubChem CID134587198
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC Name(2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid
SMILESCC[C@@](C)(OCc1cc(-c2cccc(OC3CC3)c2)n(-c2ccccc2Cl)n1)C(=O)O
InChIInChI=1S/C24H25ClN2O4/c1-3-24(2,23(28)29)30-15-17-14-22(27(26-17)21-10-5-4-9-20(21)25)16-7-6-8-19(13-16)31-18-11-12-18/h4-10,13-14,18H,3,11-12,15H2,1-2H3,(H,28,29)/t24-/m1/s1
InChIKeyGMVVYVHASOEGGH-XMMPIXPASA-N
XLogP5.50
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.93
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid?
The IUPAC name of (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid (CID 134587198) is (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid?
The canonical SMILES for (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid is CC[C@@](C)(OCc1cc(-c2cccc(OC3CC3)c2)n(-c2ccccc2Cl)n1)C(=O)O.
What is the InChIKey of (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid?
The InChIKey is GMVVYVHASOEGGH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H25ClN2O4/c1-3-24(2,23(28)29)30-15-17-14-22(27(26-17)21-10-5-4-9-20(21)25)16-7-6-8-19(13-16)31-18-11-12-18/h4-10,13-14,18H,3,11-12,15H2,1-2H3,(H,28,29)/t24-/m1/s1.
What are the key properties of (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid?
(2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid has a molecular weight of 440.93 g/mol, XLogP of 5.50, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-chlorophenyl)-5-(3-cyclopropyloxyphenyl)pyrazol-3-yl]methoxy]-2-methylbutanoic acid is sourced from PubChem (CID 134587198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).