4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide

C11H11BrN4O — CID 82801569

IUPAC4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide
SMILESCc1cn(-c2ccc(C(N)=O)cc2Br)nc1N
InChIInChI=1S/C11H11BrN4O/c1-6-5-16(15-10(6)13)9-3-2-7(11(14)17)4-8(9)12/h2-5H,1H3,(H2,13,15)(H2,14,17)
InChIKeyXDVIXOLETXKATN-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.62
Rot. Bonds2

About 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide

4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide (PubChem CID 82801569) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide.

Molecular Properties

Compound Name4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide
PubChem CID82801569
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide
SMILESCc1cn(-c2ccc(C(N)=O)cc2Br)nc1N
InChIInChI=1S/C11H11BrN4O/c1-6-5-16(15-10(6)13)9-3-2-7(11(14)17)4-8(9)12/h2-5H,1H3,(H2,13,15)(H2,14,17)
InChIKeyXDVIXOLETXKATN-UHFFFAOYSA-N
XLogP1.62
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromophenyl)-4-methylpyrazol-3-amine
CID 62677549
1-(4-bromo-3,5-dimethylphenyl)-4-methylpyrazol-3-amine
CID 107581343
4-bromo-3-(1,2,4-triazol-4-yl)benzamide
CID 56737242
4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide
CID 107346677
2-(3-amino-4-chloropyrazol-1-yl)-5-bromobenzamide
CID 114895171
ethyl 1-(2-bromo-4-carbamothioylphenyl)pyrazole-4-carboxylate
CID 82804968
3-bromo-4-(2-methylpiperidin-1-yl)benzamide
CID 169336360
3-bromo-4-[3-(methylamino)pyrrolidin-1-yl]benzamide
CID 82809979
3-bromo-4-(4-fluoro-2-methylphenyl)benzamide
CID 165449462
4-(3-amino-4-methylpiperidin-1-yl)-3-bromobenzamide
CID 82809851
4-bromo-1-(4-chloro-2-methylphenyl)pyrazole-3-carboxylic acid
CID 116818670
1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpyrazol-3-amine
CID 114836524

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide?
The IUPAC name of 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide (CID 82801569) is 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide.
What is the SMILES notation for 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide?
The canonical SMILES for 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide is Cc1cn(-c2ccc(C(N)=O)cc2Br)nc1N.
What is the InChIKey of 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide?
The InChIKey is XDVIXOLETXKATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-5-16(15-10(6)13)9-3-2-7(11(14)17)4-8(9)12/h2-5H,1H3,(H2,13,15)(H2,14,17).
What are the key properties of 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide?
4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide has a molecular weight of 295.14 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-4-methylpyrazol-1-yl)-3-bromobenzamide is sourced from PubChem (CID 82801569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).