1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid

C23H17ClN2O2 — CID 4988708

IUPAC1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3)c2C(=O)O)cc1
InChIInChI=1S/C23H17ClN2O2/c1-15-7-9-16(10-8-15)21-20(23(27)28)22(17-5-3-2-4-6-17)26(25-21)19-13-11-18(24)12-14-19/h2-14H,1H3,(H,27,28)
InChIKeyFXBURGALXRFZCD-UHFFFAOYSA-N
MW388.85 g/mol
LogP5.87
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid

1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid (PubChem CID 4988708) has the molecular formula C23H17ClN2O2 and a molecular weight of 388.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
PubChem CID4988708
Molecular FormulaC23H17ClN2O2
Molecular Weight388.85 g/mol
Exact Mass388.10
IUPAC Name1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3)c2C(=O)O)cc1
InChIInChI=1S/C23H17ClN2O2/c1-15-7-9-16(10-8-15)21-20(23(27)28)22(17-5-3-2-4-6-17)26(25-21)19-13-11-18(24)12-14-19/h2-14H,1H3,(H,27,28)
InChIKeyFXBURGALXRFZCD-UHFFFAOYSA-N
XLogP5.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.85
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-bis(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3816890
1-(4-methylphenyl)-5-phenyl-3-pyridin-4-ylpyrazole-4-carboxylic acid
CID 3831748
1-(4-chlorophenyl)-5-phenyl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxylic acid
CID 3821841
1-(3,4-dimethylphenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3859853
(4-methylphenyl)-(1,3,5-triphenylpyrazol-4-yl)methanone
CID 15197844
5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
CID 15359150
5-methyl-1,3-diphenylpyrazole-4-carboxylic acid
CID 673680
3-(4-cyanophenyl)-1-(4-methoxyphenyl)-5-phenylpyrazole-4-carboxylic acid
CID 3849112
1,5-bis(4-chlorophenyl)-4-methylpyrazole-3-carboxylic acid
CID 66641410
1-[3,5-bis(4-chlorophenyl)-1-(4-methylsulfonylphenyl)pyrazol-4-yl]ethanone
CID 54443701
3-(4-chlorophenyl)-2-(4-methylphenyl)indazole
CID 102171716
5-chloro-1-(4-methoxyphenyl)-3-phenylpyrazole-4-carboxylic acid
CID 82364034

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid (CID 4988708) is 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid is Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccccc3)c2C(=O)O)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid?
The InChIKey is FXBURGALXRFZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClN2O2/c1-15-7-9-16(10-8-15)21-20(23(27)28)22(17-5-3-2-4-6-17)26(25-21)19-13-11-18(24)12-14-19/h2-14H,1H3,(H,27,28).
What are the key properties of 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid?
1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid has a molecular weight of 388.85 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-methylphenyl)-5-phenylpyrazole-4-carboxylic acid is sourced from PubChem (CID 4988708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).