5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide

C11H11BrN4O — CID 58110915

IUPAC5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(Br)c(-n2ncc(C(N)=O)c2N)c1
InChIInChI=1S/C11H11BrN4O/c1-6-2-3-8(12)9(4-6)16-10(13)7(5-15-16)11(14)17/h2-5H,13H2,1H3,(H2,14,17)
InChIKeyCTTPUDSUFANENG-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.62
Rot. Bonds2

About 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide

5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide (PubChem CID 58110915) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide
PubChem CID58110915
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(Br)c(-n2ncc(C(N)=O)c2N)c1
InChIInChI=1S/C11H11BrN4O/c1-6-2-3-8(12)9(4-6)16-10(13)7(5-15-16)11(14)17/h2-5H,13H2,1H3,(H2,14,17)
InChIKeyCTTPUDSUFANENG-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide (CID 58110915) is 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(Br)c(-n2ncc(C(N)=O)c2N)c1.
What is the InChIKey of 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is CTTPUDSUFANENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-2-3-8(12)9(4-6)16-10(13)7(5-15-16)11(14)17/h2-5H,13H2,1H3,(H2,14,17).
What are the key properties of 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide?
5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide 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 5-amino-1-(2-bromo-5-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 58110915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).