3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide

C7H10BrN3O — CID 166255959

IUPAC3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1c(Br)n[nH]c1C
InChIInChI=1S/C7H10BrN3O/c1-3-9-7(12)5-4(2)10-11-6(5)8/h3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyKHRHONFFEVRFCC-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.23
Rot. Bonds2

About 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide

3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 166255959) has the molecular formula C7H10BrN3O and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID166255959
Molecular FormulaC7H10BrN3O
Molecular Weight232.08 g/mol
Exact Mass231.00
IUPAC Name3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCNC(=O)c1c(Br)n[nH]c1C
InChIInChI=1S/C7H10BrN3O/c1-3-9-7(12)5-4(2)10-11-6(5)8/h3H2,1-2H3,(H,9,12)(H,10,11)
InChIKeyKHRHONFFEVRFCC-UHFFFAOYSA-N
XLogP1.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide (CID 166255959) is 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide is CCNC(=O)c1c(Br)n[nH]c1C.
What is the InChIKey of 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is KHRHONFFEVRFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrN3O/c1-3-9-7(12)5-4(2)10-11-6(5)8/h3H2,1-2H3,(H,9,12)(H,10,11).
What are the key properties of 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide?
3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 232.08 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 166255959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).