N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide

C12H10F3N3O2 — CID 86783234

IUPACN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(Nc1cnn(CC(F)F)c1)c1ccc(O)cc1F
InChIInChI=1S/C12H10F3N3O2/c13-10-3-8(19)1-2-9(10)12(20)17-7-4-16-18(5-7)6-11(14)15/h1-5,11,19H,6H2,(H,17,20)
InChIKeyOJSFBJWMFKQOOX-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.25
Rot. Bonds4

About N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide

N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide (PubChem CID 86783234) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
PubChem CID86783234
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC NameN-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide
SMILESO=C(Nc1cnn(CC(F)F)c1)c1ccc(O)cc1F
InChIInChI=1S/C12H10F3N3O2/c13-10-3-8(19)1-2-9(10)12(20)17-7-4-16-18(5-7)6-11(14)15/h1-5,11,19H,6H2,(H,17,20)
InChIKeyOJSFBJWMFKQOOX-UHFFFAOYSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
CID 47076856
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 167893013
N'-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-(2,3-difluorophenyl)oxamide
CID 75387716
2-fluoro-4-hydroxy-N-(5-methyl-3-pyridinyl)benzamide
CID 107676884
2-fluoro-4-hydroxy-N-(6-methyl-3-pyridinyl)benzamide
CID 107676762
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 136517272
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[4-(triazol-2-yl)phenyl]urea
CID 71867165
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]-1-hydroxycyclopentane-1-carboxamide
CID 111458225
2-amino-5-hydroxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]benzamide
CID 107074926
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]piperidine-4-carboxamide;hydrochloride
CID 119328781
2-fluoro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 17088846

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide (CID 86783234) is N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide is O=C(Nc1cnn(CC(F)F)c1)c1ccc(O)cc1F.
What is the InChIKey of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide?
The InChIKey is OJSFBJWMFKQOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c13-10-3-8(19)1-2-9(10)12(20)17-7-4-16-18(5-7)6-11(14)15/h1-5,11,19H,6H2,(H,17,20).
What are the key properties of N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide?
N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-fluoro-4-hydroxybenzamide has a molecular weight of 285.23 g/mol, XLogP of 2.25, 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]-2-fluoro-4-hydroxybenzamide is sourced from PubChem (CID 86783234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).