N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide

C20H19N5O4 — CID 4865570

IUPACN-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C20H19N5O4/c1-13-11-19(25(28)29)23-24(13)12-15-5-3-4-6-18(15)20(27)22-17-9-7-16(8-10-17)21-14(2)26/h3-11H,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeySMMXCBAMPKAYJL-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.36
Rot. Bonds6

About N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide

N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide (PubChem CID 4865570) has the molecular formula C20H19N5O4 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
PubChem CID4865570
Molecular FormulaC20H19N5O4
Molecular Weight393.40 g/mol
Exact Mass393.14
IUPAC NameN-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide
SMILESCC(=O)Nc1ccc(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)cc1
InChIInChI=1S/C20H19N5O4/c1-13-11-19(25(28)29)23-24(13)12-15-5-3-4-6-18(15)20(27)22-17-9-7-16(8-10-17)21-14(2)26/h3-11H,12H2,1-2H3,(H,21,26)(H,22,27)
InChIKeySMMXCBAMPKAYJL-UHFFFAOYSA-N
XLogP3.36
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.36
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

2-[(5-methyl-3-nitropyrazol-1-yl)methyl]-N-(4-methyl-2-oxochromen-7-yl)benzamide
CID 17021831
N-(4-acetylphenyl)-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 19521235
1-[(2,3-dichlorophenyl)methyl]-5-methyl-3-nitropyrazole
CID 17386070
N-(4-acetamidophenyl)-2-(2-nitroethyl)benzamide
CID 1484336
4-[3-(5-methyl-3-nitropyrazol-1-yl)propanoylamino]benzoic acid
CID 19583503
2-chloro-N-[(Z)-1-(5-methyl-3-nitropyrazol-1-yl)propan-2-ylideneamino]benzamide
CID 6153464
N-(3,4-dimethoxyphenyl)-2-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 4865726
N-(4-ethylphenyl)-4-[(5-methyl-3-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 19496602
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19285433
2-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 4555387
3-(5-methyl-3-nitropyrazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 19541717
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 19541814

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide (CID 4865570) is N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide is CC(=O)Nc1ccc(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide?
The InChIKey is SMMXCBAMPKAYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O4/c1-13-11-19(25(28)29)23-24(13)12-15-5-3-4-6-18(15)20(27)22-17-9-7-16(8-10-17)21-14(2)26/h3-11H,12H2,1-2H3,(H,21,26)(H,22,27).
What are the key properties of N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide?
N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide has a molecular weight of 393.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[(5-methyl-3-nitropyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 4865570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).