2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid

C23H26N2O4 — CID 110160779

IUPAC2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1
InChIInChI=1S/C23H26N2O4/c1-15(2)14-25-20(17-7-5-6-8-21(17)28-3)13-19(24-25)18-11-16(12-23(26)27)9-10-22(18)29-4/h5-11,13,15H,12,14H2,1-4H3,(H,26,27)
InChIKeyGWYJIQSMWDBXFO-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.52
Rot. Bonds8

About 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid

2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid (PubChem CID 110160779) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid
PubChem CID110160779
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid
SMILESCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1
InChIInChI=1S/C23H26N2O4/c1-15(2)14-25-20(17-7-5-6-8-21(17)28-3)13-19(24-25)18-11-16(12-23(26)27)9-10-22(18)29-4/h5-11,13,15H,12,14H2,1-4H3,(H,26,27)
InChIKeyGWYJIQSMWDBXFO-UHFFFAOYSA-N
XLogP4.52
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]-4-propoxyphenyl]acetic acid
CID 110160776
2-[3-[5-(4-chlorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]-4-propoxyphenyl]acetic acid
CID 110160785
2-[4-bromo-2-[5-(2,3-dimethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]-6-methoxyphenoxy]acetic acid
CID 110161519
2-[4-ethyl-2-[5-(4-fluorophenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenoxy]acetic acid
CID 110161490
2-[4-ethoxy-3-[5-(3-fluorophenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-3-yl]phenyl]acetic acid
CID 110160895
4-[5-(2-ethoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]benzoic acid
CID 110160796
3,5-bis(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19587078
3-[4-[(3-chlorophenyl)methoxy]-3-[5-(2-methoxyphenyl)-1-(2-phenylethyl)pyrazol-3-yl]phenyl]propanoic acid
CID 129455672
6-(2-methoxyphenyl)-2-(2-methylpropyl)-3-oxopyridazine-4-carbaldehyde
CID 82447378
2-[2-[5-(2-ethoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-4,5-difluorophenoxy]acetic acid
CID 110077387
2-[[6-[5-(2-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]pyrazol-3-yl]-1,3-benzodioxol-5-yl]oxy]acetic acid
CID 110077367
4-butoxy-3-[1-butyl-5-(2-methoxyphenyl)pyrazol-3-yl]benzoic acid
CID 110076723

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid?
The IUPAC name of 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid (CID 110160779) is 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid?
The canonical SMILES for 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid is COc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1.
What is the InChIKey of 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid?
The InChIKey is GWYJIQSMWDBXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15(2)14-25-20(17-7-5-6-8-21(17)28-3)13-19(24-25)18-11-16(12-23(26)27)9-10-22(18)29-4/h5-11,13,15H,12,14H2,1-4H3,(H,26,27).
What are the key properties of 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid?
2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid has a molecular weight of 394.47 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[5-(2-methoxyphenyl)-1-(2-methylpropyl)pyrazol-3-yl]phenyl]acetic acid is sourced from PubChem (CID 110160779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).