1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide

C12H12N4O4 — CID 19263239

IUPAC1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(O)c2)n1
InChIInChI=1S/C12H12N4O4/c1-2-15-7-10(16(19)20)11(14-15)12(18)13-8-4-3-5-9(17)6-8/h3-7,17H,2H2,1H3,(H,13,18)
InChIKeyGGLCWHVXHCZBEM-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.77
Rot. Bonds4

About 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide

1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide (PubChem CID 19263239) has the molecular formula C12H12N4O4 and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide
PubChem CID19263239
Molecular FormulaC12H12N4O4
Molecular Weight276.25 g/mol
Exact Mass276.09
IUPAC Name1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(O)c2)n1
InChIInChI=1S/C12H12N4O4/c1-2-15-7-10(16(19)20)11(14-15)12(18)13-8-4-3-5-9(17)6-8/h3-7,17H,2H2,1H3,(H,13,18)
InChIKeyGGLCWHVXHCZBEM-UHFFFAOYSA-N
XLogP1.77
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19580041
1-ethyl-4-nitro-N-pyridin-2-ylpyrazole-3-carboxamide
CID 832033
N-[3-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-1-methyl-4-nitropyrazole-3-carboxamide
CID 19264027
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263174
1-ethyl-N-(2-fluoro-5-methylphenyl)-4-nitropyrazole-3-carboxamide
CID 841663
N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263192
1-ethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]-4-nitropyrazole-3-carboxamide
CID 19400031
N-(1-benzylpyrazol-3-yl)-1-ethyl-4-nitropyrazole-3-carboxamide
CID 843698
1-methyl-4-nitro-N-phenylpyrazole-3-carboxamide
CID 536040
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19262963
N-butan-2-yl-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263063
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19263126

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide (CID 19263239) is 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide is CCn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(O)c2)n1.
What is the InChIKey of 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide?
The InChIKey is GGLCWHVXHCZBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O4/c1-2-15-7-10(16(19)20)11(14-15)12(18)13-8-4-3-5-9(17)6-8/h3-7,17H,2H2,1H3,(H,13,18).
What are the key properties of 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide?
1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide has a molecular weight of 276.25 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-hydroxyphenyl)-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 19263239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).