1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid

C23H18N2O3 — CID 127047004

IUPAC1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N2O3/c26-23(27)21-15-22(25(24-21)19-9-5-2-6-10-19)18-11-13-20(14-12-18)28-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,27)
InChIKeyYVEDDGSEZADRSQ-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.82
Rot. Bonds6

About 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid

1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid (PubChem CID 127047004) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid
PubChem CID127047004
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C23H18N2O3/c26-23(27)21-15-22(25(24-21)19-9-5-2-6-10-19)18-11-13-20(14-12-18)28-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,27)
InChIKeyYVEDDGSEZADRSQ-UHFFFAOYSA-N
XLogP4.82
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-5-phenyl-1H-pyrazole-3-carboxylic acid
CID 750186
TC Lpa5 4
CID 66552906
4-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-3-carboxylic acid
CID 1478012
7-(4-Carboxyphenyl)-3-[3-(Naphthalen-1-Yloxy)propyl]pyrazolo[1,5-A]pyridine-2-Carboxylic Acid
CID 72793103
5-(4-{[4-(5-Carboxyfuran-2-Yl)benzyl]oxy}phenyl)-1-(3-Methylphenyl)-1h-Pyrazole-3-Carboxylic Acid
CID 72193915
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
(2S)-2-(2-benzoylanilino)-3-[4-[2-(5-methyl-1-phenylpyrazol-3-yl)ethoxy]phenyl]propanoic acid
CID 10721272
Ethyl 1-benzyl-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 15991002
3-[1-(4-Methoxy-phenyl)-5-p-tolyl-1h-pyrazol-3-yl]-2-m-tolyl-propionic acid
CID 22171037
4-Benzamido-5-(4-ethoxyphenyl)-1-(4-phenoxyphenyl)pyrazole-3-carboxylic acid
CID 127045713

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid (CID 127047004) is 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid?
The InChIKey is YVEDDGSEZADRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c26-23(27)21-15-22(25(24-21)19-9-5-2-6-10-19)18-11-13-20(14-12-18)28-16-17-7-3-1-4-8-17/h1-15H,16H2,(H,26,27).
What are the key properties of 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid?
1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid has a molecular weight of 370.41 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(4-phenylmethoxyphenyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 127047004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).