1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid

C19H18N2O2 — CID 3710502

IUPAC1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
SMILESCC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C19H18N2O2/c1-13(2)14-8-10-15(11-9-14)18-17(19(22)23)12-21(20-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23)
InChIKeyOEAMTQVYPYFSGQ-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.36
Rot. Bonds4

About 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid

1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid (PubChem CID 3710502) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
PubChem CID3710502
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
SMILESCC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1
InChIInChI=1S/C19H18N2O2/c1-13(2)14-8-10-15(11-9-14)18-17(19(22)23)12-21(20-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23)
InChIKeyOEAMTQVYPYFSGQ-UHFFFAOYSA-N
XLogP4.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
CID 7063562
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carbaldehyde
CID 39095577
[2-(2-acetylhydrazinyl)-2-oxoethyl] 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
CID 7806988
1-tert-butyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 39095972
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
3-(4-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543103
1-[4-(1-amino-2-methyl-1-oxopropan-2-yl)phenyl]-3-phenylpyrazole-4-carboxylic acid
CID 56714980
[(1S)-1-(4-fluorophenyl)ethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 7842037
[(1S)-1-cyanoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate
CID 8820486

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid (CID 3710502) is 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid is CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1.
What is the InChIKey of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
The InChIKey is OEAMTQVYPYFSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(2)14-8-10-15(11-9-14)18-17(19(22)23)12-21(20-18)16-6-4-3-5-7-16/h3-13H,1-2H3,(H,22,23).
What are the key properties of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid?
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 3710502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).