N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide

C15H18BrN3O — CID 19329993

IUPACN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCn1cc(Br)c(C)n1
InChIInChI=1S/C15H18BrN3O/c1-11-6-3-4-7-13(11)15(20)17-8-5-9-19-10-14(16)12(2)18-19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,20)
InChIKeyKQAZSBIWWHDISY-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.08
Rot. Bonds5

About N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide (PubChem CID 19329993) has the molecular formula C15H18BrN3O and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
PubChem CID19329993
Molecular FormulaC15H18BrN3O
Molecular Weight336.23 g/mol
Exact Mass335.06
IUPAC NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCn1cc(Br)c(C)n1
InChIInChI=1S/C15H18BrN3O/c1-11-6-3-4-7-13(11)15(20)17-8-5-9-19-10-14(16)12(2)18-19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,20)
InChIKeyKQAZSBIWWHDISY-UHFFFAOYSA-N
XLogP3.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-iodobenzamide
CID 19328234
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19329942
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide
CID 19329951
4-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500308
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-chloroacetamide
CID 19329976
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266293
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylpyrazole-3-carboxamide
CID 19475447
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(1-ethyl-3-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 19511608
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1-methylpyrazole-5-carboxamide
CID 19475156
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3,5-dinitrobenzamide
CID 19329823
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 19329964

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide?
The IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide (CID 19329993) is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide?
The canonical SMILES for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCCn1cc(Br)c(C)n1.
What is the InChIKey of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide?
The InChIKey is KQAZSBIWWHDISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O/c1-11-6-3-4-7-13(11)15(20)17-8-5-9-19-10-14(16)12(2)18-19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide?
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide has a molecular weight of 336.23 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide is sourced from PubChem (CID 19329993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).