1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one

C15H15F3N4O — CID 167917048

IUPAC1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one
SMILESCN1CCC(Nc2cc(C(F)(F)F)ccc2-n2cccn2)C1=O
InChIInChI=1S/C15H15F3N4O/c1-21-8-5-11(14(21)23)20-12-9-10(15(16,17)18)3-4-13(12)22-7-2-6-19-22/h2-4,6-7,9,11,20H,5,8H2,1H3
InChIKeyOUMMDVHACPKTBQ-UHFFFAOYSA-N
MW324.31 g/mol
LogP2.53
Rot. Bonds3

About 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one

1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one (PubChem CID 167917048) has the molecular formula C15H15F3N4O and a molecular weight of 324.31 g/mol. Its IUPAC name is 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one
PubChem CID167917048
Molecular FormulaC15H15F3N4O
Molecular Weight324.31 g/mol
Exact Mass324.12
IUPAC Name1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one
SMILESCN1CCC(Nc2cc(C(F)(F)F)ccc2-n2cccn2)C1=O
InChIInChI=1S/C15H15F3N4O/c1-21-8-5-11(14(21)23)20-12-9-10(15(16,17)18)3-4-13(12)22-7-2-6-19-22/h2-4,6-7,9,11,20H,5,8H2,1H3
InChIKeyOUMMDVHACPKTBQ-UHFFFAOYSA-N
XLogP2.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-5-(trifluoromethyl)benzenecarbothioamide
CID 106256382
ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26725643
3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione
CID 60932879
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
1-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074970
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 46616677
2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 51117583
(3R)-1-methyl-3-[[2-[[(3R)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318486
(3S)-1-methyl-3-[[2-[[(3S)-1-methyl-2-oxopyrrolidin-3-yl]amino]-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
CID 97318487
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
1-[2-ethyl-5-(trifluoromethyl)phenyl]pyrazole
CID 126668779
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one (CID 167917048) is 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one is CN1CCC(Nc2cc(C(F)(F)F)ccc2-n2cccn2)C1=O.
What is the InChIKey of 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one?
The InChIKey is OUMMDVHACPKTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O/c1-21-8-5-11(14(21)23)20-12-9-10(15(16,17)18)3-4-13(12)22-7-2-6-19-22/h2-4,6-7,9,11,20H,5,8H2,1H3.
What are the key properties of 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one?
1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one has a molecular weight of 324.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-pyrazol-1-yl-5-(trifluoromethyl)anilino]pyrrolidin-2-one is sourced from PubChem (CID 167917048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).