1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate

C19H17N2O2- — CID 7063562

IUPAC1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
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)/p-1
InChIKeyOEAMTQVYPYFSGQ-UHFFFAOYSA-M
MW305.36 g/mol
LogP3.03
Rot. Bonds4

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

1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate (PubChem CID 7063562) has the molecular formula C19H17N2O2- and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Name1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
PubChem CID7063562
Molecular FormulaC19H17N2O2-
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate
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)/p-1
InChIKeyOEAMTQVYPYFSGQ-UHFFFAOYSA-M
XLogP3.03
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylic acid
CID 3710502
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
[(1S)-1-(4-fluorophenyl)ethyl] 1,3-diphenylpyrazole-4-carboxylate
CID 7842037
3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2360724
3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl chloride
CID 12965031
3-(4-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxylic acid
CID 166792125
[(1S)-1-cyanoethyl] 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate
CID 8820486
3-(4-chlorophenyl)-N-(1-methoxypropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 42988922
N-[1-(4-methylphenyl)propyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281297
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
1,3-diphenyl-N-(1-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 78775903

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate?
The IUPAC name of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate (CID 7063562) is 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate is CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])cc1.
What is the InChIKey of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate?
The InChIKey is OEAMTQVYPYFSGQ-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate?
1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate has a molecular weight of 305.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(4-propan-2-ylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 7063562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).