5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide

C7H11BrN4O — CID 130067081

IUPAC5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(Br)c(C(N)=O)c1N
InChIInChI=1S/C7H11BrN4O/c1-3(2)12-6(9)4(7(10)13)5(8)11-12/h3H,9H2,1-2H3,(H2,10,13)
InChIKeyDXIUZBRLVKTDKF-UHFFFAOYSA-N
MW247.10 g/mol
LogP0.91
Rot. Bonds2

About 5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 130067081) has the molecular formula C7H11BrN4O and a molecular weight of 247.10 g/mol. Its IUPAC name is 5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide
PubChem CID130067081
Molecular FormulaC7H11BrN4O
Molecular Weight247.10 g/mol
Exact Mass246.01
IUPAC Name5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide
SMILESCC(C)n1nc(Br)c(C(N)=O)c1N
InChIInChI=1S/C7H11BrN4O/c1-3(2)12-6(9)4(7(10)13)5(8)11-12/h3H,9H2,1-2H3,(H2,10,13)
InChIKeyDXIUZBRLVKTDKF-UHFFFAOYSA-N
XLogP0.91
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.10
LogP ≤ 50.91
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-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide (CID 130067081) is 5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(Br)c(C(N)=O)c1N.
What is the InChIKey of 5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DXIUZBRLVKTDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN4O/c1-3(2)12-6(9)4(7(10)13)5(8)11-12/h3H,9H2,1-2H3,(H2,10,13).
What are the key properties of 5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide?
5-amino-3-bromo-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 247.10 g/mol, XLogP of 0.91, 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-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 130067081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).