1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one

C18H15F4N5O — CID 90205889

IUPAC1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2)C1=O
InChIInChI=1S/C18H15F4N5O/c1-11-24-16(18(20,21)22)10-26(11)15-6-7-25(17(15)28)14-8-23-27(9-14)13-4-2-12(19)3-5-13/h2-5,8-10,15H,6-7H2,1H3
InChIKeyKDHLROSMLWZINC-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.51
Rot. Bonds3

About 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one

1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one (PubChem CID 90205889) has the molecular formula C18H15F4N5O and a molecular weight of 393.34 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
PubChem CID90205889
Molecular FormulaC18H15F4N5O
Molecular Weight393.34 g/mol
Exact Mass393.12
IUPAC Name1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2)C1=O
InChIInChI=1S/C18H15F4N5O/c1-11-24-16(18(20,21)22)10-26(11)15-6-7-25(17(15)28)14-8-23-27(9-14)13-4-2-12(19)3-5-13/h2-5,8-10,15H,6-7H2,1H3
InChIKeyKDHLROSMLWZINC-UHFFFAOYSA-N
XLogP3.51
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one (CID 90205889) is 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one is Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(F)cc3)c2)C1=O.
What is the InChIKey of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The InChIKey is KDHLROSMLWZINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F4N5O/c1-11-24-16(18(20,21)22)10-26(11)15-6-7-25(17(15)28)14-8-23-27(9-14)13-4-2-12(19)3-5-13/h2-5,8-10,15H,6-7H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one has a molecular weight of 393.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)pyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 90205889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).