4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide

C13H13BrN4O4 — CID 19480358

IUPAC4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Br)c(C)nn2C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H13BrN4O4/c1-7-11(14)12(17(2)16-7)13(19)15-9-5-4-8(22-3)6-10(9)18(20)21/h4-6H,1-3H3,(H,15,19)
InChIKeyMUKFVWCOAHCMCH-UHFFFAOYSA-N
MW369.18 g/mol
LogP2.66
Rot. Bonds4

About 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide

4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 19480358) has the molecular formula C13H13BrN4O4 and a molecular weight of 369.18 g/mol. Its IUPAC name is 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID19480358
Molecular FormulaC13H13BrN4O4
Molecular Weight369.18 g/mol
Exact Mass368.01
IUPAC Name4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2c(Br)c(C)nn2C)c([N+](=O)[O-])c1
InChIInChI=1S/C13H13BrN4O4/c1-7-11(14)12(17(2)16-7)13(19)15-9-5-4-8(22-3)6-10(9)18(20)21/h4-6H,1-3H3,(H,15,19)
InChIKeyMUKFVWCOAHCMCH-UHFFFAOYSA-N
XLogP2.66
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.18
LogP ≤ 52.66
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-bromo-N-(2-hydroxy-4-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 19480601
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxy-2-nitrophenyl)furan-2-carboxamide
CID 19454747
4,5-dibromo-N-(4-methoxy-2-nitrophenyl)thiophene-2-carboxamide
CID 19205153
N-(4-methoxy-2-nitrophenyl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 19242142
6-bromo-N-(4-methoxy-2-nitrophenyl)pyridine-2-carboxamide
CID 103889560
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522119
1-ethyl-N-(4-methoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19262186
4-bromo-N-(4-ethoxy-2-nitrophenyl)-1-methylpyrazole-5-carboxamide
CID 19475048
N'-(4-diazonio-1,3-dimethylpyrazol-5-yl)-N-(4-methoxy-2-nitrophenyl)carbamimidate
CID 78075612
2-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2798189

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 19480358) is 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide is COc1ccc(NC(=O)c2c(Br)c(C)nn2C)c([N+](=O)[O-])c1.
What is the InChIKey of 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is MUKFVWCOAHCMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O4/c1-7-11(14)12(17(2)16-7)13(19)15-9-5-4-8(22-3)6-10(9)18(20)21/h4-6H,1-3H3,(H,15,19).
What are the key properties of 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 369.18 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(4-methoxy-2-nitrophenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 19480358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).