1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide

C19H14F2N4O3 — CID 119042225

IUPAC1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3ccn(-c4c(F)cccc4F)n3)cc2NC1=O
InChIInChI=1S/C19H14F2N4O3/c1-10-18(26)23-15-9-11(5-6-16(15)28-10)22-19(27)14-7-8-25(24-14)17-12(20)3-2-4-13(17)21/h2-10H,1H3,(H,22,27)(H,23,26)
InChIKeyFJPKAWUXDGSXON-UHFFFAOYSA-N
MW384.34 g/mol
LogP3.12
Rot. Bonds3

About 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide

1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide (PubChem CID 119042225) has the molecular formula C19H14F2N4O3 and a molecular weight of 384.34 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
PubChem CID119042225
Molecular FormulaC19H14F2N4O3
Molecular Weight384.34 g/mol
Exact Mass384.10
IUPAC Name1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
SMILESCC1Oc2ccc(NC(=O)c3ccn(-c4c(F)cccc4F)n3)cc2NC1=O
InChIInChI=1S/C19H14F2N4O3/c1-10-18(26)23-15-9-11(5-6-16(15)28-10)22-19(27)14-7-8-25(24-14)17-12(20)3-2-4-13(17)21/h2-10H,1H3,(H,22,27)(H,23,26)
InChIKeyFJPKAWUXDGSXON-UHFFFAOYSA-N
XLogP3.12
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 102557711
1-(4-fluoro-2-methylphenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide
CID 119043465
2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 17413196
3-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18129774
1-(2-fluorophenyl)-6-methyl-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-4-oxopyridazine-3-carboxamide
CID 9147954
2-(2-fluorophenyl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]acetamide
CID 9145610
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 46524350
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-1-phenyl-5-propan-2-ylpyrazole-3-carboxamide
CID 99714129
1-butyl-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-6-oxopyridazine-3-carboxamide
CID 45351371
4-bromo-2-fluoro-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)benzamide
CID 18090700
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(trifluoromethyl)benzamide
CID 17413197
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]furan-3-carboxamide
CID 51640081

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide (CID 119042225) is 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide is CC1Oc2ccc(NC(=O)c3ccn(-c4c(F)cccc4F)n3)cc2NC1=O.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
The InChIKey is FJPKAWUXDGSXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2N4O3/c1-10-18(26)23-15-9-11(5-6-16(15)28-10)22-19(27)14-7-8-25(24-14)17-12(20)3-2-4-13(17)21/h2-10H,1H3,(H,22,27)(H,23,26).
What are the key properties of 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide?
1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide has a molecular weight of 384.34 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 119042225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).