N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide

C13H13N5O6 — CID 19522119

IUPACN-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H13N5O6/c1-8-12(18(22)23)6-16(15-8)7-13(19)14-10-4-3-9(24-2)5-11(10)17(20)21/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyUCORCWBSSKPTML-UHFFFAOYSA-N
MW335.28 g/mol
LogP1.66
Rot. Bonds6

About N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide

N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide (PubChem CID 19522119) has the molecular formula C13H13N5O6 and a molecular weight of 335.28 g/mol. Its IUPAC name is N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
PubChem CID19522119
Molecular FormulaC13H13N5O6
Molecular Weight335.28 g/mol
Exact Mass335.09
IUPAC NameN-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
SMILESCOc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H13N5O6/c1-8-12(18(22)23)6-16(15-8)7-13(19)14-10-4-3-9(24-2)5-11(10)17(20)21/h3-6H,7H2,1-2H3,(H,14,19)
InChIKeyUCORCWBSSKPTML-UHFFFAOYSA-N
XLogP1.66
TPSA142.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-(4-chloro-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522139
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19516200
2-(azocan-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 51170949
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
CID 19516309
N-(2-chloro-5-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide
CID 19522188
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxy-2-nitrophenyl)propanamide
CID 19553863
N-(4-methoxy-2-nitrophenyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915263
N-(4-methoxy-2-nitrophenyl)-2-nitrosoacetamide
CID 90848222
2-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]sulfanylacetic acid
CID 115569447
2-(4-benzylpiperazin-1-yl)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 2978109
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
3-[3-(4-methoxy-2-nitroanilino)-3-oxopropyl]sulfanyl-N-(4-methoxy-2-nitrophenyl)propanamide
CID 5142693

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide (CID 19522119) is N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide is COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(C)n2)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
The InChIKey is UCORCWBSSKPTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O6/c1-8-12(18(22)23)6-16(15-8)7-13(19)14-10-4-3-9(24-2)5-11(10)17(20)21/h3-6H,7H2,1-2H3,(H,14,19).
What are the key properties of N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide?
N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide has a molecular weight of 335.28 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-nitrophenyl)-2-(3-methyl-4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19522119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).