1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide

C20H15F4N5O3 — CID 97022569

IUPAC1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide
SMILESC[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H15F4N5O3/c1-11-16(20(22,23)24)32-19(31)29(11)17-14(3-2-9-25-17)26-18(30)15-8-10-28(27-15)13-6-4-12(21)5-7-13/h2-11,16H,1H3,(H,26,30)/t11-,16-/m0/s1
InChIKeyUGVTWHMTDWFFFF-ZBEGNZNMSA-N
MW449.36 g/mol
LogP3.93
Rot. Bonds4

About 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide (PubChem CID 97022569) has the molecular formula C20H15F4N5O3 and a molecular weight of 449.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide
PubChem CID97022569
Molecular FormulaC20H15F4N5O3
Molecular Weight449.36 g/mol
Exact Mass449.11
IUPAC Name1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide
SMILESC[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H15F4N5O3/c1-11-16(20(22,23)24)32-19(31)29(11)17-14(3-2-9-25-17)26-18(30)15-8-10-28(27-15)13-6-4-12(21)5-7-13/h2-11,16H,1H3,(H,26,30)/t11-,16-/m0/s1
InChIKeyUGVTWHMTDWFFFF-ZBEGNZNMSA-N
XLogP3.93
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-2-fluorophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38802898
N-(3-acetamidophenyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38764433
1-(4-fluorophenyl)-N-[3-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 38815516
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38825065
N-(2-hydroxyphenyl)-1-(4-methoxyphenyl)pyrazole-3-carboxamide
CID 60572392
1-(4-fluorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 43071659
1-[6-(4-fluorophenyl)indolizin-3-yl]-N-(2-methoxy-3-pyridinyl)pyrazole-3-carboxamide
CID 97362166
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-3-carboxamide
CID 43071783
1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
CID 95137538
2-chloro-4-fluoro-N-(2-pyrazol-1-yl-3-pyridinyl)benzamide
CID 30884817
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38704884

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide (CID 97022569) is 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide is C[C@H]1[C@@H](C(F)(F)F)OC(=O)N1c1ncccc1NC(=O)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide?
The InChIKey is UGVTWHMTDWFFFF-ZBEGNZNMSA-N. The full InChI is InChI=1S/C20H15F4N5O3/c1-11-16(20(22,23)24)32-19(31)29(11)17-14(3-2-9-25-17)26-18(30)15-8-10-28(27-15)13-6-4-12(21)5-7-13/h2-11,16H,1H3,(H,26,30)/t11-,16-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide has a molecular weight of 449.36 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[2-[(4S,5S)-4-methyl-2-oxo-5-(trifluoromethyl)-1,3-oxazolidin-3-yl]-3-pyridinyl]pyrazole-3-carboxamide is sourced from PubChem (CID 97022569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).