1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one

C20H19F4N5O — CID 74766587

IUPAC1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCC(C)c1c(N2CCC(n3cnc(C(F)(F)F)c3)C2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H19F4N5O/c1-12(2)18-16(9-26-29(18)14-5-3-13(21)4-6-14)28-8-7-15(19(28)30)27-10-17(25-11-27)20(22,23)24/h3-6,9-12,15H,7-8H2,1-2H3
InChIKeyHZPZVEIGCKSFCF-UHFFFAOYSA-N
MW421.40 g/mol
LogP4.33
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one

1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one (PubChem CID 74766587) has the molecular formula C20H19F4N5O and a molecular weight of 421.40 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
PubChem CID74766587
Molecular FormulaC20H19F4N5O
Molecular Weight421.40 g/mol
Exact Mass421.15
IUPAC Name1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCC(C)c1c(N2CCC(n3cnc(C(F)(F)F)c3)C2=O)cnn1-c1ccc(F)cc1
InChIInChI=1S/C20H19F4N5O/c1-12(2)18-16(9-26-29(18)14-5-3-13(21)4-6-14)28-8-7-15(19(28)30)27-10-17(25-11-27)20(22,23)24/h3-6,9-12,15H,7-8H2,1-2H3
InChIKeyHZPZVEIGCKSFCF-UHFFFAOYSA-N
XLogP4.33
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.40
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-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 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one (CID 74766587) is 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one is CC(C)c1c(N2CCC(n3cnc(C(F)(F)F)c3)C2=O)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The InChIKey is HZPZVEIGCKSFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N5O/c1-12(2)18-16(9-26-29(18)14-5-3-13(21)4-6-14)28-8-7-15(19(28)30)27-10-17(25-11-27)20(22,23)24/h3-6,9-12,15H,7-8H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one has a molecular weight of 421.40 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]-3-[4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 74766587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).