N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide

C13H12BrFN4O3 — CID 19539034

IUPACN-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1c([N+](=O)[O-])cnn1C(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H12BrFN4O3/c1-7-12(19(21)22)6-16-18(7)8(2)13(20)17-11-4-3-9(14)5-10(11)15/h3-6,8H,1-2H3,(H,17,20)
InChIKeyWIZQPLIBKPSKOL-UHFFFAOYSA-N
MW371.17 g/mol
LogP3.20
Rot. Bonds4

About N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide

N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide (PubChem CID 19539034) has the molecular formula C13H12BrFN4O3 and a molecular weight of 371.17 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
PubChem CID19539034
Molecular FormulaC13H12BrFN4O3
Molecular Weight371.17 g/mol
Exact Mass370.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
SMILESCc1c([N+](=O)[O-])cnn1C(C)C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C13H12BrFN4O3/c1-7-12(19(21)22)6-16-18(7)8(2)13(20)17-11-4-3-9(14)5-10(11)15/h3-6,8H,1-2H3,(H,17,20)
InChIKeyWIZQPLIBKPSKOL-UHFFFAOYSA-N
XLogP3.20
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.17
LogP ≤ 53.20
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'}

Analyze N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromoquinolin-8-yl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539010
2-(4-chloro-5-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
CID 19533646
N-(4-bromo-2-fluorophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)propanamide
CID 19537804
N-(4-bromo-2-fluorophenyl)-2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]propanamide
CID 19539341
2-(5-methyl-4-nitropyrazol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 19393595
N-(4-bromo-2-fluorophenyl)-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propanamide
CID 4867115
3-(4-bromo-2-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897183
N-(1-methylbenzimidazol-2-yl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539056
2-amino-N-(4-bromo-2-fluorophenyl)propanamide
CID 24708230
[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 4-chloro-2-nitrobenzoate
CID 16962610
N-[1-[(2-chloro-4-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-2-(5-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539194
propan-2-yl 1-ethyl-4-[2-(5-methyl-4-nitropyrazol-1-yl)propanoylamino]pyrazole-3-carboxylate
CID 19404570

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide (CID 19539034) is N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide is Cc1c([N+](=O)[O-])cnn1C(C)C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide?
The InChIKey is WIZQPLIBKPSKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN4O3/c1-7-12(19(21)22)6-16-18(7)8(2)13(20)17-11-4-3-9(14)5-10(11)15/h3-6,8H,1-2H3,(H,17,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide?
N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide has a molecular weight of 371.17 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-2-(5-methyl-4-nitropyrazol-1-yl)propanamide is sourced from PubChem (CID 19539034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).