4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

C5H6BrN3O2 — CID 165466175

IUPAC4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(N)=O)c(Br)c1=O
InChIInChI=1S/C5H6BrN3O2/c1-9-5(11)2(6)3(8-9)4(7)10/h8H,1H3,(H2,7,10)
InChIKeyJIOGXGABRHSZIY-UHFFFAOYSA-N
MW220.03 g/mol
LogP-0.43
Rot. Bonds1

About 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide

4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (PubChem CID 165466175) has the molecular formula C5H6BrN3O2 and a molecular weight of 220.03 g/mol. Its IUPAC name is 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
PubChem CID165466175
Molecular FormulaC5H6BrN3O2
Molecular Weight220.03 g/mol
Exact Mass218.96
IUPAC Name4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide
SMILESCn1[nH]c(C(N)=O)c(Br)c1=O
InChIInChI=1S/C5H6BrN3O2/c1-9-5(11)2(6)3(8-9)4(7)10/h8H,1H3,(H2,7,10)
InChIKeyJIOGXGABRHSZIY-UHFFFAOYSA-N
XLogP-0.43
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.03
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide (CID 165466175) is 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is Cn1[nH]c(C(N)=O)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
The InChIKey is JIOGXGABRHSZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN3O2/c1-9-5(11)2(6)3(8-9)4(7)10/h8H,1H3,(H2,7,10).
What are the key properties of 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide?
4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide has a molecular weight of 220.03 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-3-oxo-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 165466175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).