1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid

C17H14N2O3 — CID 750186

IUPAC1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O3/c1-22-14-9-7-13(8-10-14)19-16(11-15(18-19)17(20)21)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyJTDIEDQRYAXLPI-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.25
Rot. Bonds4

About 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid

1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid (PubChem CID 750186) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid
PubChem CID750186
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid
SMILESCOc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1
InChIInChI=1S/C17H14N2O3/c1-22-14-9-7-13(8-10-14)19-16(11-15(18-19)17(20)21)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21)
InChIKeyJTDIEDQRYAXLPI-UHFFFAOYSA-N
XLogP3.25
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,5-diphenyl-1H-pyrazole-3-carboxylic acid
CID 869152
3-(3-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid
CID 2377173
TC Lpa5 4
CID 66552906
3-butyl-1-(4-methoxyphenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazole-5-carboxylic acid
CID 14971708
1-(4-fluorophenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 1477271
1-(3-Methylphenyl)-5-Phenyl-1h-Pyrazole-3-Carboxylic Acid
CID 869081
ethyl 5-(benzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
CID 1251498
3-[1-(4-Methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]-2-(4-methylphenyl)propanoic acid
CID 10320262
2-(4-Methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10366068
2-(3-Methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10388627
1-[[2-[(2,4-Difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11406237
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid (CID 750186) is 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid is COc1ccc(-n2nc(C(=O)O)cc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid?
The InChIKey is JTDIEDQRYAXLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-22-14-9-7-13(8-10-14)19-16(11-15(18-19)17(20)21)12-5-3-2-4-6-12/h2-11H,1H3,(H,20,21).
What are the key properties of 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid?
1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid has a molecular weight of 294.31 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5-phenylpyrazole-3-carboxylic acid is sourced from PubChem (CID 750186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).