4-(4-aminopyrazol-1-yl)-2-bromobenzamide

C10H9BrN4O — CID 107281218

IUPAC4-(4-aminopyrazol-1-yl)-2-bromobenzamide
SMILESNC(=O)c1ccc(-n2cc(N)cn2)cc1Br
InChIInChI=1S/C10H9BrN4O/c11-9-3-7(1-2-8(9)10(13)16)15-5-6(12)4-14-15/h1-5H,12H2,(H2,13,16)
InChIKeyIHZRNDHZJHFQDQ-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.32
Rot. Bonds2

About 4-(4-aminopyrazol-1-yl)-2-bromobenzamide

4-(4-aminopyrazol-1-yl)-2-bromobenzamide (PubChem CID 107281218) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 4-(4-aminopyrazol-1-yl)-2-bromobenzamide.

Molecular Properties

Compound Name4-(4-aminopyrazol-1-yl)-2-bromobenzamide
PubChem CID107281218
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name4-(4-aminopyrazol-1-yl)-2-bromobenzamide
SMILESNC(=O)c1ccc(-n2cc(N)cn2)cc1Br
InChIInChI=1S/C10H9BrN4O/c11-9-3-7(1-2-8(9)10(13)16)15-5-6(12)4-14-15/h1-5H,12H2,(H2,13,16)
InChIKeyIHZRNDHZJHFQDQ-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-bromo-4-pyrazol-1-ylbenzamide
CID 107282932
2-bromo-4-(4-chloropyrazol-1-yl)benzoic acid
CID 107282391
4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)benzamide
CID 54910433
1-(3-bromophenyl)pyrazol-4-amine
CID 43542774
2-amino-5-(4-bromopyrazol-1-yl)benzoic acid
CID 61035552
1-(3-bromo-4-carbamoylphenyl)piperidine-4-carboxylic acid
CID 107275312
4-(4-aminopiperidin-1-yl)-2-bromobenzamide
CID 107280577
2-bromo-4-hydroxybenzamide
CID 103693582
1-[4-carbamothioyl-3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 64781403
2-bromo-4-(3,5-diethylpyrazol-1-yl)benzamide
CID 107282940
1-(3-bromo-4-fluorophenyl)pyrazole-4-carboxylic acid
CID 130121228
6-(4-aminopyrazol-1-yl)pyridine-3-carboxamide
CID 61174850

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopyrazol-1-yl)-2-bromobenzamide?
The IUPAC name of 4-(4-aminopyrazol-1-yl)-2-bromobenzamide (CID 107281218) is 4-(4-aminopyrazol-1-yl)-2-bromobenzamide.
What is the SMILES notation for 4-(4-aminopyrazol-1-yl)-2-bromobenzamide?
The canonical SMILES for 4-(4-aminopyrazol-1-yl)-2-bromobenzamide is NC(=O)c1ccc(-n2cc(N)cn2)cc1Br.
What is the InChIKey of 4-(4-aminopyrazol-1-yl)-2-bromobenzamide?
The InChIKey is IHZRNDHZJHFQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-9-3-7(1-2-8(9)10(13)16)15-5-6(12)4-14-15/h1-5H,12H2,(H2,13,16).
What are the key properties of 4-(4-aminopyrazol-1-yl)-2-bromobenzamide?
4-(4-aminopyrazol-1-yl)-2-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 4-(4-aminopyrazol-1-yl)-2-bromobenzamide is sourced from PubChem (CID 107281218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).