4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide

C14H17BrN4O — CID 104618642

IUPAC4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(N)c(Br)c2)n[nH]1
InChIInChI=1S/C14H17BrN4O/c1-14(2,3)11-7-12(19-18-11)17-13(20)8-4-5-10(16)9(15)6-8/h4-7H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyGHLFARFGYSKXTK-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.30
Rot. Bonds2

About 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide

4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide (PubChem CID 104618642) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
PubChem CID104618642
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)(C)c1cc(NC(=O)c2ccc(N)c(Br)c2)n[nH]1
InChIInChI=1S/C14H17BrN4O/c1-14(2,3)11-7-12(19-18-11)17-13(20)8-4-5-10(16)9(15)6-8/h4-7H,16H2,1-3H3,(H2,17,18,19,20)
InChIKeyGHLFARFGYSKXTK-UHFFFAOYSA-N
XLogP3.30
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.30
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

N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 115589899
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-chloro-3-methylbenzamide
CID 115694776
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(hydroxymethyl)benzamide
CID 104620011
5-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-2-carboxamide
CID 112688842
3-amino-4-bromo-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819252
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 104618611
N-(5-tert-butyl-1H-pyrazol-3-yl)-9-oxofluorene-2-carboxamide
CID 55977209
N-(5-tert-butyl-1H-pyrazol-3-yl)furan-3-carboxamide
CID 47343702
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-5-iodobenzamide
CID 103995808
N-(5-tert-butyl-1H-pyrazol-3-yl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 171352339
4-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-hydroxybenzamide
CID 115603581
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-ethylfuran-2-carboxamide
CID 47343724

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide (CID 104618642) is 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide is CC(C)(C)c1cc(NC(=O)c2ccc(N)c(Br)c2)n[nH]1.
What is the InChIKey of 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is GHLFARFGYSKXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4O/c1-14(2,3)11-7-12(19-18-11)17-13(20)8-4-5-10(16)9(15)6-8/h4-7H,16H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide?
4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 337.22 g/mol, XLogP of 3.30, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 104618642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).