N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide

C13H14N4O3 — CID 47156473

IUPACN-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide
SMILESCc1ccc(NC(=O)C(C)n2cccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3/c1-9-4-5-11(8-12(9)17(19)20)15-13(18)10(2)16-7-3-6-14-16/h3-8,10H,1-2H3,(H,15,18)
InChIKeyBRURRMTZEJWDQG-UHFFFAOYSA-N
MW274.28 g/mol
LogP2.30
Rot. Bonds4

About N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide

N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide (PubChem CID 47156473) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide
PubChem CID47156473
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide
SMILESCc1ccc(NC(=O)C(C)n2cccn2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O3/c1-9-4-5-11(8-12(9)17(19)20)15-13(18)10(2)16-7-3-6-14-16/h3-8,10H,1-2H3,(H,15,18)
InChIKeyBRURRMTZEJWDQG-UHFFFAOYSA-N
XLogP2.30
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methyl-N-[2-(4-methyl-3-nitroanilino)-2-oxoethyl]-2-pyrazol-1-ylpropanamide
CID 60523894
N-(4-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 134060372
N-(3-acetamidophenyl)-2-pyrazol-1-ylpropanamide
CID 134060380
N-(2,6-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 47156281
N-phenyl-2-pyrazol-1-ylpropanamide
CID 42949018
N-(4-bromo-3,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106491100
2,3-dimethyl-4-(4-methyl-3-nitroanilino)-4-oxobutanoic acid
CID 103496212
3-amino-2-methyl-N-(4-methyl-3-nitrophenyl)propanamide
CID 62669230
N-(4-methyl-3-nitrophenyl)-2-propan-2-ylsulfonylpropanamide
CID 60553956
2-hydroxy-4-(2-pyrazol-1-ylpropanoylamino)benzoic acid
CID 43211185
2-methyl-N-[3-(2-pyrazol-1-ylpropanoylamino)phenyl]benzamide
CID 42958661
ethane;N-(4-methyl-3-nitrophenyl)-2,2-diphenylacetamide
CID 143201282

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide (CID 47156473) is N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide is Cc1ccc(NC(=O)C(C)n2cccn2)cc1[N+](=O)[O-].
What is the InChIKey of N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide?
The InChIKey is BRURRMTZEJWDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-9-4-5-11(8-12(9)17(19)20)15-13(18)10(2)16-7-3-6-14-16/h3-8,10H,1-2H3,(H,15,18).
What are the key properties of N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide?
N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide has a molecular weight of 274.28 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-nitrophenyl)-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 47156473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).