5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide

C9H10BrN3O2 — CID 171660915

IUPAC5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCC(=O)C1CC1)c1cc(Br)[nH]n1
InChIInChI=1S/C9H10BrN3O2/c10-8-3-6(12-13-8)9(15)11-4-7(14)5-1-2-5/h3,5H,1-2,4H2,(H,11,15)(H,12,13)
InChIKeyOMGQQBVASSCLBK-UHFFFAOYSA-N
MW272.10 g/mol
LogP0.88
Rot. Bonds4

About 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide

5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide (PubChem CID 171660915) has the molecular formula C9H10BrN3O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide
PubChem CID171660915
Molecular FormulaC9H10BrN3O2
Molecular Weight272.10 g/mol
Exact Mass271.00
IUPAC Name5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NCC(=O)C1CC1)c1cc(Br)[nH]n1
InChIInChI=1S/C9H10BrN3O2/c10-8-3-6(12-13-8)9(15)11-4-7(14)5-1-2-5/h3,5H,1-2,4H2,(H,11,15)(H,12,13)
InChIKeyOMGQQBVASSCLBK-UHFFFAOYSA-N
XLogP0.88
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide (CID 171660915) is 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide is O=C(NCC(=O)C1CC1)c1cc(Br)[nH]n1.
What is the InChIKey of 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is OMGQQBVASSCLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O2/c10-8-3-6(12-13-8)9(15)11-4-7(14)5-1-2-5/h3,5H,1-2,4H2,(H,11,15)(H,12,13).
What are the key properties of 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide?
5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 272.10 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-cyclopropyl-2-oxoethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 171660915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).