3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide

C7H10BrN3O — CID 131153893

IUPAC3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCNC(=O)c1cc(Br)nn1C
InChIInChI=1S/C7H10BrN3O/c1-3-9-7(12)5-4-6(8)10-11(5)2/h4H,3H2,1-2H3,(H,9,12)
InChIKeyUETOYPNYIWOMJQ-UHFFFAOYSA-N
MW232.08 g/mol
LogP0.93
Rot. Bonds2

About 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide

3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 131153893) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID131153893
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCNC(=O)c1cc(Br)nn1C
InChIInChI=1S/C7H10BrN3O/c1-3-9-7(12)5-4-6(8)10-11(5)2/h4H,3H2,1-2H3,(H,9,12)
InChIKeyUETOYPNYIWOMJQ-UHFFFAOYSA-N
XLogP0.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide (CID 131153893) is 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide is CCNC(=O)c1cc(Br)nn1C.
What is the InChIKey of 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is UETOYPNYIWOMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-3-9-7(12)5-4-6(8)10-11(5)2/h4H,3H2,1-2H3,(H,9,12).
What are the key properties of 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide?
3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 232.08 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 131153893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).