N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide

C13H10F4N4O2 — CID 75387716

IUPACN'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H10F4N4O2/c14-8-2-1-3-9(11(8)17)20-13(23)12(22)19-7-4-18-21(5-7)6-10(15)16/h1-5,10H,6H2,(H,19,22)(H,20,23)
InChIKeySEFLKXSHYYVHHT-UHFFFAOYSA-N
MW330.24 g/mol
LogP2.00
Rot. Bonds4

About N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide

N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide (PubChem CID 75387716) has the molecular formula C13H10F4N4O2 and a molecular weight of 330.24 g/mol. Its IUPAC name is N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide
PubChem CID75387716
Molecular FormulaC13H10F4N4O2
Molecular Weight330.24 g/mol
Exact Mass330.07
IUPAC NameN'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide
SMILESO=C(Nc1cnn(CC(F)F)c1)C(=O)Nc1cccc(F)c1F
InChIInChI=1S/C13H10F4N4O2/c14-8-2-1-3-9(11(8)17)20-13(23)12(22)19-7-4-18-21(5-7)6-10(15)16/h1-5,10H,6H2,(H,19,22)(H,20,23)
InChIKeySEFLKXSHYYVHHT-UHFFFAOYSA-N
XLogP2.00
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.24
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[2-(2,6-difluorophenyl)-2-hydroxyethyl]urea
CID 111521217
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
CID 86783234
[4-[[1-(2,2-difluoroethyl)pyrazol-4-yl]carbamoyl]-2-(2,6-difluorophenyl)-1,3-thiazol-5-yl]carbamic acid
CID 123455199
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[4-(triazol-2-yl)phenyl]urea
CID 71867165
methyl 2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]acetate
CID 154881995
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-1-hydroxycyclopentane-1-carboxamide
CID 111458225
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
2-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentanamide
CID 119328796
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-N-(2-fluoro-4-methylphenyl)propanamide
CID 75507095
N'-(2,3-difluorophenyl)-N-(4-hydroxy-2-phenylbutyl)oxamide
CID 111456276
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-(2,2-dimethylpropanoyl)piperazine-1-carboxamide
CID 71984828

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide?
The IUPAC name of N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide (CID 75387716) is N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide.
What is the SMILES notation for N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide?
The canonical SMILES for N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide is O=C(Nc1cnn(CC(F)F)c1)C(=O)Nc1cccc(F)c1F.
What is the InChIKey of N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide?
The InChIKey is SEFLKXSHYYVHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N4O2/c14-8-2-1-3-9(11(8)17)20-13(23)12(22)19-7-4-18-21(5-7)6-10(15)16/h1-5,10H,6H2,(H,19,22)(H,20,23).
What are the key properties of N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide?
N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide has a molecular weight of 330.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide is sourced from PubChem (CID 75387716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).