3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C14H16BrN3O — CID 104853008

IUPAC3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(C)cc(Br)c2)n[nH]1
InChIInChI=1S/C14H16BrN3O/c1-3-4-12-8-13(18-17-12)16-14(19)10-5-9(2)6-11(15)7-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyFSKOWTXBLBMCIO-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.69
Rot. Bonds4

About 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide

3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104853008) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID104853008
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cc(C)cc(Br)c2)n[nH]1
InChIInChI=1S/C14H16BrN3O/c1-3-4-12-8-13(18-17-12)16-14(19)10-5-9(2)6-11(15)7-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19)
InChIKeyFSKOWTXBLBMCIO-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)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

4-bromo-2,6-difluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115686752
2,4,6-trimethyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115778074
4-(hydroxymethyl)-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104619750
5-methyl-N-(5-propyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 114821897
4-fluoro-3-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115621244
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-oxo-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyridine-4-carboxamide
CID 113257565
4-propan-2-yl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619793
3-methoxy-4-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 115619852
2,5-dimethyl-N-(5-propyl-1H-pyrazol-3-yl)thiophene-3-carboxamide
CID 113233981
2-(aminomethyl)-N-(5-propyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618234

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 104853008) is 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2cc(C)cc(Br)c2)n[nH]1.
What is the InChIKey of 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is FSKOWTXBLBMCIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-4-12-8-13(18-17-12)16-14(19)10-5-9(2)6-11(15)7-10/h5-8H,3-4H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 322.21 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104853008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).