5-amino-3-bromo-1-ethylpyrazole-4-carboxamide

C6H9BrN4O — CID 118024604

IUPAC5-amino-3-bromo-1-ethylpyrazole-4-carboxamide
SMILESCCn1nc(Br)c(C(N)=O)c1N
InChIInChI=1S/C6H9BrN4O/c1-2-11-5(8)3(6(9)12)4(7)10-11/h2,8H2,1H3,(H2,9,12)
InChIKeyDZOMWWQWPJOMBV-UHFFFAOYSA-N
MW233.07 g/mol
LogP0.35
Rot. Bonds2

About 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide

5-amino-3-bromo-1-ethylpyrazole-4-carboxamide (PubChem CID 118024604) has the molecular formula C6H9BrN4O and a molecular weight of 233.07 g/mol. Its IUPAC name is 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-bromo-1-ethylpyrazole-4-carboxamide
PubChem CID118024604
Molecular FormulaC6H9BrN4O
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name5-amino-3-bromo-1-ethylpyrazole-4-carboxamide
SMILESCCn1nc(Br)c(C(N)=O)c1N
InChIInChI=1S/C6H9BrN4O/c1-2-11-5(8)3(6(9)12)4(7)10-11/h2,8H2,1H3,(H2,9,12)
InChIKeyDZOMWWQWPJOMBV-UHFFFAOYSA-N
XLogP0.35
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide (CID 118024604) is 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide is CCn1nc(Br)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide?
The InChIKey is DZOMWWQWPJOMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9BrN4O/c1-2-11-5(8)3(6(9)12)4(7)10-11/h2,8H2,1H3,(H2,9,12).
What are the key properties of 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide?
5-amino-3-bromo-1-ethylpyrazole-4-carboxamide has a molecular weight of 233.07 g/mol, XLogP of 0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-bromo-1-ethylpyrazole-4-carboxamide is sourced from PubChem (CID 118024604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).