N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide

C15H17N5O4 — CID 1259508

IUPACN-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C15H17N5O4/c1-11(21)17-12-4-6-13(7-5-12)18-15(22)3-2-8-19-10-14(9-16-19)20(23)24/h4-7,9-10H,2-3,8H2,1H3,(H,17,21)(H,18,22)
InChIKeyGJTVZXDTZSHFJT-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.17
Rot. Bonds7

About N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide

N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide (PubChem CID 1259508) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
PubChem CID1259508
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC NameN-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C15H17N5O4/c1-11(21)17-12-4-6-13(7-5-12)18-15(22)3-2-8-19-10-14(9-16-19)20(23)24/h4-7,9-10H,2-3,8H2,1H3,(H,17,21)(H,18,22)
InChIKeyGJTVZXDTZSHFJT-UHFFFAOYSA-N
XLogP2.17
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.17
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-(2-methylsulfanylphenyl)-4-(4-nitropyrazol-1-yl)butanamide
CID 5306322
N-(4-methylphenyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19579263
N-(3,5-difluorophenyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60573218
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-nitropyrazol-1-yl)propanamide
CID 19403924
N-[1-(4-chlorophenyl)ethyl]-4-(4-nitropyrazol-1-yl)butanamide
CID 178068162
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-3-(4-nitropyrazol-1-yl)propanamide
CID 60573431
1-methyl-N-[4-[[2-(4-nitropyrazol-1-yl)acetyl]amino]phenyl]pyrazole-3-carboxamide
CID 19516097
4-nitro-1-octylpyrazole
CID 50999936
N-(6-methyl-2-pyridinyl)-3-(4-nitropyrazol-1-yl)propanamide
CID 60574033
1-butyl-4-nitropyrazole
CID 50999673
N-(4-aminophenyl)-4-(4-methylpyrazol-1-yl)butanamide
CID 60871928
methyl 3-(4-nitropyrazol-1-yl)propanoate
CID 4184227

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide?
The IUPAC name of N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide (CID 1259508) is N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide?
The canonical SMILES for N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide is CC(=O)Nc1ccc(NC(=O)CCCn2cc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide?
The InChIKey is GJTVZXDTZSHFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-11(21)17-12-4-6-13(7-5-12)18-15(22)3-2-8-19-10-14(9-16-19)20(23)24/h4-7,9-10H,2-3,8H2,1H3,(H,17,21)(H,18,22).
What are the key properties of N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide?
N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide has a molecular weight of 331.33 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4-(4-nitropyrazol-1-yl)butanamide is sourced from PubChem (CID 1259508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).