2-(3-aminopyrazol-1-yl)-5-bromobenzamide

C10H9BrN4O — CID 114895160

IUPAC2-(3-aminopyrazol-1-yl)-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1-n1ccc(N)n1
InChIInChI=1S/C10H9BrN4O/c11-6-1-2-8(7(5-6)10(13)16)15-4-3-9(12)14-15/h1-5H,(H2,12,14)(H2,13,16)
InChIKeyPCDMWAUHIVLYRM-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.32
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)-5-bromobenzamide

2-(3-aminopyrazol-1-yl)-5-bromobenzamide (PubChem CID 114895160) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-5-bromobenzamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-5-bromobenzamide
PubChem CID114895160
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name2-(3-aminopyrazol-1-yl)-5-bromobenzamide
SMILESNC(=O)c1cc(Br)ccc1-n1ccc(N)n1
InChIInChI=1S/C10H9BrN4O/c11-6-1-2-8(7(5-6)10(13)16)15-4-3-9(12)14-15/h1-5H,(H2,12,14)(H2,13,16)
InChIKeyPCDMWAUHIVLYRM-UHFFFAOYSA-N
XLogP1.32
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide
CID 114895171
1-(5-bromo-2-chlorophenyl)pyrazol-3-amine
CID 102942859
5-bromo-2-(3-methylpyrazol-1-yl)benzoic acid
CID 114896062
1-[5-bromo-2-(3-methylpyrazol-1-yl)phenyl]ethanone
CID 82966911
5-bromo-2-(4-bromo-3,5-dimethylpyrazol-1-yl)benzamide
CID 114895144
2-(benzimidazol-1-yl)-5-bromobenzamide
CID 114896304
1-(4-bromo-2-nitrophenyl)pyrazole-3-carboxamide
CID 64781002
1-(5-bromo-2-formylphenyl)pyrazole-3-carboxamide
CID 64780779
4-bromo-2-(1,2,4-triazol-1-yl)benzamide
CID 115773784
4-(3-aminopyrazol-1-yl)-2-(trifluoromethyl)benzamide
CID 61175658
1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
CID 64782639
1-(5-bromo-2-cyanophenyl)pyrazole-3-carboxamide
CID 114902313

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-5-bromobenzamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-5-bromobenzamide (CID 114895160) is 2-(3-aminopyrazol-1-yl)-5-bromobenzamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-5-bromobenzamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-5-bromobenzamide is NC(=O)c1cc(Br)ccc1-n1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-5-bromobenzamide?
The InChIKey is PCDMWAUHIVLYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-6-1-2-8(7(5-6)10(13)16)15-4-3-9(12)14-15/h1-5H,(H2,12,14)(H2,13,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-5-bromobenzamide?
2-(3-aminopyrazol-1-yl)-5-bromobenzamide has a molecular weight of 281.11 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-5-bromobenzamide is sourced from PubChem (CID 114895160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).