2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide

C11H8F2N4O4 — CID 17023033

IUPAC2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnn1C(F)F
InChIInChI=1S/C11H8F2N4O4/c12-11(13)16-8(3-4-14-16)10(19)15-7-5-6(17(20)21)1-2-9(7)18/h1-5,11,18H,(H,15,19)
InChIKeySXWOVOSIKRRAAA-UHFFFAOYSA-N
MW298.21 g/mol
LogP2.14
Rot. Bonds4

About 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide

2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 17023033) has the molecular formula C11H8F2N4O4 and a molecular weight of 298.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
PubChem CID17023033
Molecular FormulaC11H8F2N4O4
Molecular Weight298.21 g/mol
Exact Mass298.05
IUPAC Name2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnn1C(F)F
InChIInChI=1S/C11H8F2N4O4/c12-11(13)16-8(3-4-14-16)10(19)15-7-5-6(17(20)21)1-2-9(7)18/h1-5,11,18H,(H,15,19)
InChIKeySXWOVOSIKRRAAA-UHFFFAOYSA-N
XLogP2.14
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-N-(2-methoxy-4-nitrophenyl)pyrazole-3-carboxamide
CID 19506795
N-(2,6-dibromo-4-nitrophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19506748
N-(2-fluoro-5-nitrophenyl)-2-methylpyrazole-3-carboxamide
CID 157051605
4-bromo-N-(2-hydroxy-5-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19475244
N-(4-bromo-2-fluorophenyl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 3461510
N-(2-chloro-5-nitrophenyl)-2-ethylpyrazole-3-carboxamide
CID 19475346
2-chloro-N-(2-hydroxy-5-nitrophenyl)-4-nitrobenzamide
CID 17342396
2,3-difluoro-N-(2-hydroxy-5-nitrophenyl)benzamide
CID 103863233
N-(2-hydroxy-5-nitrophenyl)-3-methylpyridine-2-carboxamide
CID 103894425
N-(2-hydroxy-5-nitrophenyl)-2-methylpyridine-3-carboxamide
CID 103863225
N-(2-hydroxy-5-nitrophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414727
2-bromo-N-(2-hydroxy-5-nitrophenyl)-3-methylbutanamide
CID 52988833

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide (CID 17023033) is 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide is O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccnn1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is SXWOVOSIKRRAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4O4/c12-11(13)16-8(3-4-14-16)10(19)15-7-5-6(17(20)21)1-2-9(7)18/h1-5,11,18H,(H,15,19).
What are the key properties of 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide?
2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 298.21 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-(2-hydroxy-5-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 17023033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).