N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H12N4O4 — CID 19474180

IUPACN-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cnn1C
InChIInChI=1S/C12H12N4O4/c1-7-9(6-13-15(7)2)12(18)14-10-4-3-8(16(19)20)5-11(10)17/h3-6,17H,1-2H3,(H,14,18)
InChIKeyJTVJUHUQNRKJDK-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.59
Rot. Bonds3

About N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 19474180) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID19474180
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC NameN-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cnn1C
InChIInChI=1S/C12H12N4O4/c1-7-9(6-13-15(7)2)12(18)14-10-4-3-8(16(19)20)5-11(10)17/h3-6,17H,1-2H3,(H,14,18)
InChIKeyJTVJUHUQNRKJDK-UHFFFAOYSA-N
XLogP1.59
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.59
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

4-chloro-N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19476028
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19475245
4-bromo-N-(2-hydroxy-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480601
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-3-methylpyrazole-4-carboxamide
CID 19474478
N-(2-hydroxy-4-nitrophenyl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19480320
3-chloro-N-(2-hydroxy-4-nitrophenyl)-2-methylbenzamide
CID 107745088
N-(2-cyano-4-nitrophenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280913
methyl 2-[(2-hydroxy-4-nitrophenyl)carbamoyl]benzoate
CID 108798714
3-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4-hydroxybenzoic acid
CID 107264647
1-ethyl-N-(2-hydroxy-4-nitrophenyl)-4-nitropyrazole-5-carboxamide
CID 19476589
4-bromo-2-hydroxy-N-(2-hydroxy-4-nitrophenyl)benzamide
CID 107745262
N-(4-bromo-2-methylphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28780531

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 19474180) is N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cnn1C.
What is the InChIKey of N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is JTVJUHUQNRKJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-7-9(6-13-15(7)2)12(18)14-10-4-3-8(16(19)20)5-11(10)17/h3-6,17H,1-2H3,(H,14,18).
What are the key properties of N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 276.25 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-nitrophenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).