1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide

C13H14N4O4 — CID 19262186

IUPAC1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H14N4O4/c1-3-16-7-6-11(15-16)13(18)14-10-5-4-9(21-2)8-12(10)17(19)20/h4-8H,3H2,1-2H3,(H,14,18)
InChIKeyDVVWNENHQJHIFZ-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.07
Rot. Bonds5

About 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide

1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide (PubChem CID 19262186) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
PubChem CID19262186
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
SMILESCCn1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1
InChIInChI=1S/C13H14N4O4/c1-3-16-7-6-11(15-16)13(18)14-10-5-4-9(21-2)8-12(10)17(19)20/h4-8H,3H2,1-2H3,(H,14,18)
InChIKeyDVVWNENHQJHIFZ-UHFFFAOYSA-N
XLogP2.07
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
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

4-chloro-1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19263279
N-(4-ethoxy-2-nitrophenyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269304
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
CID 103889560
N-(4-methoxy-2-nitrophenyl)-2,2-dimethylbutanamide
CID 3140520
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480358
1-[1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl]pyrazole-3-carboxylic acid
CID 19504490
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
CID 3101370
2-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-methoxy-2-nitrophenyl)quinoline-4-carboxamide
CID 19515707
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide (CID 19262186) is 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide is CCn1ccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1.
What is the InChIKey of 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide?
The InChIKey is DVVWNENHQJHIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-3-16-7-6-11(15-16)13(18)14-10-5-4-9(21-2)8-12(10)17(19)20/h4-8H,3H2,1-2H3,(H,14,18).
What are the key properties of 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide?
1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide has a molecular weight of 290.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19262186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).