3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide

C16H19BrN4O3 — CID 19567782

IUPAC3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCn1cc(Br)c([N+](=O)[O-])n1)c1ccc(C)cc1
InChIInChI=1S/C16H19BrN4O3/c1-3-14(12-6-4-11(2)5-7-12)18-15(22)8-9-20-10-13(17)16(19-20)21(23)24/h4-7,10,14H,3,8-9H2,1-2H3,(H,18,22)
InChIKeyPSWPZUFSRILAPE-UHFFFAOYSA-N
MW395.26 g/mol
LogP3.52
Rot. Bonds7

About 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide

3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide (PubChem CID 19567782) has the molecular formula C16H19BrN4O3 and a molecular weight of 395.26 g/mol. Its IUPAC name is 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
PubChem CID19567782
Molecular FormulaC16H19BrN4O3
Molecular Weight395.26 g/mol
Exact Mass394.06
IUPAC Name3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
SMILESCCC(NC(=O)CCn1cc(Br)c([N+](=O)[O-])n1)c1ccc(C)cc1
InChIInChI=1S/C16H19BrN4O3/c1-3-14(12-6-4-11(2)5-7-12)18-15(22)8-9-20-10-13(17)16(19-20)21(23)24/h4-7,10,14H,3,8-9H2,1-2H3,(H,18,22)
InChIKeyPSWPZUFSRILAPE-UHFFFAOYSA-N
XLogP3.52
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.26
LogP ≤ 53.52
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 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]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

3-(4-bromo-3-nitropyrazol-1-yl)-N-ethylpropanamide
CID 19567951
N-[1-(4-methylphenyl)propyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555806
3-(4-bromo-3-nitropyrazol-1-yl)-N-[(1-ethylpyrazol-3-yl)methyl]propanamide
CID 19567881
5-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-[1-(4-butan-2-ylphenyl)propyl]furan-2-carboxamide
CID 19465138
3-(4-bromo-3-nitropyrazol-1-yl)propanamide
CID 47350149
3-(4-bromo-3-nitropyrazol-1-yl)-N-(1-methylpiperidin-4-yl)propanamide
CID 19567852
3-(4-bromo-3-nitropyrazol-1-yl)-N-(1-methylbenzimidazol-2-yl)propanamide
CID 19567739
ethyl 5-(4-bromo-3-nitropyrazol-1-yl)pentanoate
CID 56806543
N-(2-adamantyl)-3-(4-bromo-3-nitropyrazol-1-yl)propanamide
CID 19567775
1-methyl-N-[1-(4-methylphenyl)propyl]-4-nitropyrazole-5-carboxamide
CID 19478382
2-(5-methyl-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide
CID 19538791
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]acetamide
CID 19525503

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide (CID 19567782) is 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide is CCC(NC(=O)CCn1cc(Br)c([N+](=O)[O-])n1)c1ccc(C)cc1.
What is the InChIKey of 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
The InChIKey is PSWPZUFSRILAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O3/c1-3-14(12-6-4-11(2)5-7-12)18-15(22)8-9-20-10-13(17)16(19-20)21(23)24/h4-7,10,14H,3,8-9H2,1-2H3,(H,18,22).
What are the key properties of 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide?
3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide has a molecular weight of 395.26 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3-nitropyrazol-1-yl)-N-[1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 19567782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).