2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid

C19H18N2O4 — CID 86762670

IUPAC2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)n(CC(=O)O)n2)cc1
InChIInChI=1S/C19H18N2O4/c1-24-15-7-3-13(4-8-15)17-11-18(21(20-17)12-19(22)23)14-5-9-16(25-2)10-6-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyNEQHJZQSRIPKRZ-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.32
Rot. Bonds6

About 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid

2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid (PubChem CID 86762670) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
PubChem CID86762670
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid
SMILESCOc1ccc(-c2cc(-c3ccc(OC)cc3)n(CC(=O)O)n2)cc1
InChIInChI=1S/C19H18N2O4/c1-24-15-7-3-13(4-8-15)17-11-18(21(20-17)12-19(22)23)14-5-9-16(25-2)10-6-14/h3-11H,12H2,1-2H3,(H,22,23)
InChIKeyNEQHJZQSRIPKRZ-UHFFFAOYSA-N
XLogP3.32
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(carboxymethyl)-5-[4-[1-(carboxymethyl)-3-(4-carboxyphenyl)pyrazol-5-yl]phenyl]pyrazol-3-yl]benzoic acid
CID 71231192
ethyl 2-[3,5-bis(4-methylphenyl)pyrazol-1-yl]acetate
CID 19586238
1-benzyl-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682255
2-(cyanomethyl)-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylic acid
CID 100785199
3,5-bis[4-(difluoromethoxy)phenyl]-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586923
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
3-(4-methoxyphenyl)-1-prop-2-enylpyrazole-5-carboxylic acid
CID 82300302
4-(hydroxymethyl)-6-(4-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446847
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]butanoic acid
CID 51053004
1-(2-ethylphenyl)-3,5-bis(4-methoxyphenyl)pyrazole
CID 19587123
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
1-[[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]methyl]-4-chloro-3,5-dimethylpyrazole
CID 17025607

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid (CID 86762670) is 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid is COc1ccc(-c2cc(-c3ccc(OC)cc3)n(CC(=O)O)n2)cc1.
What is the InChIKey of 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid?
The InChIKey is NEQHJZQSRIPKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-24-15-7-3-13(4-8-15)17-11-18(21(20-17)12-19(22)23)14-5-9-16(25-2)10-6-14/h3-11H,12H2,1-2H3,(H,22,23).
What are the key properties of 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid?
2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid has a molecular weight of 338.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(4-methoxyphenyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 86762670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).