2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide

C13H13BrFN3O — CID 37393425

IUPAC2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1cc(F)ccc1Br
InChIInChI=1S/C13H13BrFN3O/c14-12-4-3-10(15)9-11(12)13(19)16-5-1-7-18-8-2-6-17-18/h2-4,6,8-9H,1,5,7H2,(H,16,19)
InChIKeySYGXOMHYCVGNNK-UHFFFAOYSA-N
MW326.17 g/mol
LogP2.60
Rot. Bonds5

About 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide

2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide (PubChem CID 37393425) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
PubChem CID37393425
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide
SMILESO=C(NCCCn1cccn1)c1cc(F)ccc1Br
InChIInChI=1S/C13H13BrFN3O/c14-12-4-3-10(15)9-11(12)13(19)16-5-1-7-18-8-2-6-17-18/h2-4,6,8-9H,1,5,7H2,(H,16,19)
InChIKeySYGXOMHYCVGNNK-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide 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

2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 113347114
4-bromo-2,6-difluoro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115686657
2-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-fluorobenzamide
CID 51217423
2-bromo-N-(5-bromopentyl)-5-fluorobenzamide
CID 107322000
5-(4-fluorophenyl)-N-(3-pyrazol-1-ylpropyl)furan-2-carboxamide
CID 37393794
2-amino-5-nitro-N-(3-pyrazol-1-ylpropyl)benzamide
CID 115597314
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627197
2-bromo-N-(3-ethoxypropyl)-5-fluorobenzamide
CID 24703752
2-bromo-N-[3-(diethylamino)propyl]-5-fluorobenzamide
CID 24694683
2-bromo-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-fluorobenzamide
CID 47038122
2-bromo-5-fluoro-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 9210550

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide (CID 37393425) is 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide is O=C(NCCCn1cccn1)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide?
The InChIKey is SYGXOMHYCVGNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c14-12-4-3-10(15)9-11(12)13(19)16-5-1-7-18-8-2-6-17-18/h2-4,6,8-9H,1,5,7H2,(H,16,19).
What are the key properties of 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide?
2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide has a molecular weight of 326.17 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-(3-pyrazol-1-ylpropyl)benzamide is sourced from PubChem (CID 37393425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).