1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one

C22H21ClF3N5O — CID 90205663

IUPAC1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C2CCC2)C1=O
InChIInChI=1S/C22H21ClF3N5O/c1-13-28-19(22(24,25)26)12-30(13)17-9-10-29(21(17)32)18-11-27-31(20(18)14-3-2-4-14)16-7-5-15(23)6-8-16/h5-8,11-12,14,17H,2-4,9-10H2,1H3
InChIKeySUMAGRDPKMHQPW-UHFFFAOYSA-N
MW463.89 g/mol
LogP5.29
Rot. Bonds4

About 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one

1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one (PubChem CID 90205663) has the molecular formula C22H21ClF3N5O and a molecular weight of 463.89 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
PubChem CID90205663
Molecular FormulaC22H21ClF3N5O
Molecular Weight463.89 g/mol
Exact Mass463.14
IUPAC Name1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one
SMILESCc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C2CCC2)C1=O
InChIInChI=1S/C22H21ClF3N5O/c1-13-28-19(22(24,25)26)12-30(13)17-9-10-29(21(17)32)18-11-27-31(20(18)14-3-2-4-14)16-7-5-15(23)6-8-16/h5-8,11-12,14,17H,2-4,9-10H2,1H3
InChIKeySUMAGRDPKMHQPW-UHFFFAOYSA-N
XLogP5.29
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.89
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-{4-[(5-Methyl-2-phenyl-1H-imidazol-1-YL)methyl]piperidin-1-YL}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethan-1-one
CID 124076268
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]butanamide
CID 46970779
1-(3-{2-[3-(1H-pyrazol-1-yl)phenyl]-1H-imidazol-1-yl}propyl)pyrrolidin-2-one
CID 56744956
(2-ethylpyrazol-3-yl)-[(2S)-2-[1-[(4-fluorophenyl)methyl]-5-methylimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 164630253
1-[(3S)-3-(5-methyl-2-pyridin-4-ylimidazol-1-yl)pyrrolidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 164640598
1-[1-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-3-(3-imidazol-1-ylpropyl)urea
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1-[[1-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]-8-ethyl-7-methyl-3-propylpurine-2,6-dione
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[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methanone
CID 57458694
2-(2-chlorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 57458701
[1-[2-(2-Chlorophenyl)-5-(trifluoromethyl)pyrazole-3-carbonyl]piperidin-3-yl]-(1-methylimidazol-2-yl)methanone
CID 57458703
1-[[2-(4-Chloro-1-methylpyrazol-3-yl)-5-fluorobenzimidazol-1-yl]methyl]-4-propylpyrrolidin-2-one
CID 69030786
(2S)-1-[1-(4-chlorophenyl)-6,7-dihydro-5H-pyrazolo[4,3-b]pyridin-4-yl]-2-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]propan-1-one
CID 73336209

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one (CID 90205663) is 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one is Cc1nc(C(F)(F)F)cn1C1CCN(c2cnn(-c3ccc(Cl)cc3)c2C2CCC2)C1=O.
What is the InChIKey of 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
The InChIKey is SUMAGRDPKMHQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClF3N5O/c1-13-28-19(22(24,25)26)12-30(13)17-9-10-29(21(17)32)18-11-27-31(20(18)14-3-2-4-14)16-7-5-15(23)6-8-16/h5-8,11-12,14,17H,2-4,9-10H2,1H3.
What are the key properties of 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one?
1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one has a molecular weight of 463.89 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)-5-cyclobutylpyrazol-4-yl]-3-[2-methyl-4-(trifluoromethyl)imidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 90205663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).