3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide

C13H15BrN4O — CID 104616231

IUPAC3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cccc(N)c2Br)n[nH]1
InChIInChI=1S/C13H15BrN4O/c1-2-4-8-7-11(18-17-8)16-13(19)9-5-3-6-10(15)12(9)14/h3,5-7H,2,4,15H2,1H3,(H2,16,17,18,19)
InChIKeyPUZARCIEXLDCQL-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.96
Rot. Bonds4

About 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide

3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104616231) has the molecular formula C13H15BrN4O and a molecular weight of 323.19 g/mol. Its IUPAC name is 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
PubChem CID104616231
Molecular FormulaC13H15BrN4O
Molecular Weight323.19 g/mol
Exact Mass322.04
IUPAC Name3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
SMILESCCCc1cc(NC(=O)c2cccc(N)c2Br)n[nH]1
InChIInChI=1S/C13H15BrN4O/c1-2-4-8-7-11(18-17-8)16-13(19)9-5-3-6-10(15)12(9)14/h3,5-7H,2,4,15H2,1H3,(H2,16,17,18,19)
InChIKeyPUZARCIEXLDCQL-UHFFFAOYSA-N
XLogP2.96
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-ethoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616145
2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233987
2-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104616207
2-iodo-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 113233988
5-bromo-2-fluoro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112690348
5-amino-2,3-dichloro-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 107185838
3-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 104616226
4-amino-N-(5-propyl-1H-pyrazol-3-yl)-1H-pyrrole-2-carboxamide
CID 104616213
2-(3-aminophenoxy)-N-(5-propyl-1H-pyrazol-3-yl)acetamide
CID 104616215
4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 112702658
4-hydroxy-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 103865483
4-amino-3-methoxy-N-(5-propyl-1H-pyrazol-3-yl)benzamide
CID 104783240

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide (CID 104616231) is 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide is CCCc1cc(NC(=O)c2cccc(N)c2Br)n[nH]1.
What is the InChIKey of 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is PUZARCIEXLDCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4O/c1-2-4-8-7-11(18-17-8)16-13(19)9-5-3-6-10(15)12(9)14/h3,5-7H,2,4,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide?
3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 323.19 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-bromo-N-(5-propyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104616231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).