6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

C19H14ClF2N3O2 — CID 91889748

IUPAC6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C19H14ClF2N3O2/c20-12-3-1-11(2-4-12)18-9-25-14(10-27-18)8-17(24-25)19(26)23-13-5-6-15(21)16(22)7-13/h1-8,18H,9-10H2,(H,23,26)
InChIKeyUTOUZFRQDHYZHL-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.34
Rot. Bonds3

About 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (PubChem CID 91889748) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
PubChem CID91889748
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2
InChIInChI=1S/C19H14ClF2N3O2/c20-12-3-1-11(2-4-12)18-9-25-14(10-27-18)8-17(24-25)19(26)23-13-5-6-15(21)16(22)7-13/h1-8,18H,9-10H2,(H,23,26)
InChIKeyUTOUZFRQDHYZHL-UHFFFAOYSA-N
XLogP4.34
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-Chlorophenyl)-N-(4-fluoro-2-methylphenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889753
N-[2-chloro-4-[(2R)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71086815
N-[2-chloro-4-[(2S)-morpholin-2-yl]phenyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 71087146
3-(3-chlorophenyl)-1-methyl-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 71087841
3-(4-fluorophenyl)-1-methyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrazole-5-carboxamide
CID 71105844
2-methyl-5-phenyl-2H-pyrazole-3-carboxylic acid ((R)-2-fluoro-4-morpholin-2-yl-phenyl)-amide
CID 71112733
N-[2-fluoro-4-[(2S)-morpholin-2-yl]phenyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 71112742
US11072607, Example #5
CID 134607442
[6-(4-chlorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-yl][4-(4-fluorophenyl)piperazino]methanone
CID 91889706
6-(4-Chlorophenyl)-N-(3-fluorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889747
N-(3-Chloro-4-fluorophenyl)-6-(4-chlorophenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889751
6-(4-Chlorophenyl)-N-(3-fluoro-4-methylphenyl)-4H,6H,7H-pyrazolo[3,2-C][1,4]oxazine-2-carboxamide
CID 91889752

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide (CID 91889748) is 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc2n(n1)CC(c1ccc(Cl)cc1)OC2.
What is the InChIKey of 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
The InChIKey is UTOUZFRQDHYZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c20-12-3-1-11(2-4-12)18-9-25-14(10-27-18)8-17(24-25)19(26)23-13-5-6-15(21)16(22)7-13/h1-8,18H,9-10H2,(H,23,26).
What are the key properties of 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide?
6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide has a molecular weight of 389.79 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(3,4-difluorophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide is sourced from PubChem (CID 91889748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).