N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide

C10H8N4O4 — CID 61259784

IUPACN-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1cn[nH]c1
InChIInChI=1S/C10H8N4O4/c15-7-1-2-8(9(3-7)14(17)18)13-10(16)6-4-11-12-5-6/h1-5,15H,(H,11,12)(H,13,16)
InChIKeyKDHQLGPDZPTSIQ-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.28
Rot. Bonds3

About N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide

N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 61259784) has the molecular formula C10H8N4O4 and a molecular weight of 248.20 g/mol. Its IUPAC name is N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide
PubChem CID61259784
Molecular FormulaC10H8N4O4
Molecular Weight248.20 g/mol
Exact Mass248.05
IUPAC NameN-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(O)cc1[N+](=O)[O-])c1cn[nH]c1
InChIInChI=1S/C10H8N4O4/c15-7-1-2-8(9(3-7)14(17)18)13-10(16)6-4-11-12-5-6/h1-5,15H,(H,11,12)(H,13,16)
InChIKeyKDHQLGPDZPTSIQ-UHFFFAOYSA-N
XLogP1.28
TPSA121.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', '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

N-(4-fluoro-2-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 61260209
3-nitro-4-(1H-pyrazole-4-carbonylamino)benzoic acid
CID 60846126
2,6-dichloro-N-(4-hydroxy-2-nitrophenyl)pyridine-4-carboxamide
CID 61041536
4-bromo-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 60954513
3-amino-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695956
N-(4-fluoro-2-nitrophenyl)-4-hydroxybenzamide
CID 110483155
N-(4-hydroxy-2-nitrophenyl)-2-methylpropanamide
CID 64592033
3-bromo-N-(4-hydroxy-2-nitrophenyl)pyridine-2-carboxamide
CID 107518199
4-hydrazinyl-3-nitro-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 62242235
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
4-(methylamino)-3-nitrophenol
CID 22832045
5-bromo-N-(4-hydroxy-2-nitrophenyl)pentanamide
CID 107908520

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide (CID 61259784) is N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(O)cc1[N+](=O)[O-])c1cn[nH]c1.
What is the InChIKey of N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is KDHQLGPDZPTSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O4/c15-7-1-2-8(9(3-7)14(17)18)13-10(16)6-4-11-12-5-6/h1-5,15H,(H,11,12)(H,13,16).
What are the key properties of N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide?
N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 248.20 g/mol, XLogP of 1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-nitrophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61259784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).