5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one

C32H25F3N4O3 — CID 50885139

IUPAC5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C32H25F3N4O3/c1-19-27(30(40)38(36-19)23-12-5-3-6-13-23)29(28-20(2)37-39(31(28)41)24-14-7-4-8-15-24)26-17-16-25(42-26)21-10-9-11-22(18-21)32(33,34)35/h3-18,29,36-37H,1-2H3
InChIKeyRWLHUKXMQPLRPR-UHFFFAOYSA-N
MW570.57 g/mol
LogP6.72
Rot. Bonds6

About 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one

5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one (PubChem CID 50885139) has the molecular formula C32H25F3N4O3 and a molecular weight of 570.57 g/mol. Its IUPAC name is 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one
PubChem CID50885139
Molecular FormulaC32H25F3N4O3
Molecular Weight570.57 g/mol
Exact Mass570.19
IUPAC Name5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C32H25F3N4O3/c1-19-27(30(40)38(36-19)23-12-5-3-6-13-23)29(28-20(2)37-39(31(28)41)24-14-7-4-8-15-24)26-17-16-25(42-26)21-10-9-11-22(18-21)32(33,34)35/h3-18,29,36-37H,1-2H3
InChIKeyRWLHUKXMQPLRPR-UHFFFAOYSA-N
XLogP6.72
TPSA88.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.57
LogP ≤ 56.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one (CID 50885139) is 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one is Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1c(C)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one?
The InChIKey is RWLHUKXMQPLRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F3N4O3/c1-19-27(30(40)38(36-19)23-12-5-3-6-13-23)29(28-20(2)37-39(31(28)41)24-14-7-4-8-15-24)26-17-16-25(42-26)21-10-9-11-22(18-21)32(33,34)35/h3-18,29,36-37H,1-2H3.
What are the key properties of 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one?
5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one has a molecular weight of 570.57 g/mol, XLogP of 6.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 50885139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).