5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide

C9H10BrN5O3 — CID 166234663

IUPAC5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCc2noc(=O)[nH]2)c1Br
InChIInChI=1S/C9H10BrN5O3/c1-15-7(10)5(4-12-15)8(16)11-3-2-6-13-9(17)18-14-6/h4H,2-3H2,1H3,(H,11,16)(H,13,14,17)
InChIKeyPPZBJNPZJCJIHF-UHFFFAOYSA-N
MW316.12 g/mol
LogP-0.17
Rot. Bonds4

About 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide

5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 166234663) has the molecular formula C9H10BrN5O3 and a molecular weight of 316.12 g/mol. Its IUPAC name is 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide
PubChem CID166234663
Molecular FormulaC9H10BrN5O3
Molecular Weight316.12 g/mol
Exact Mass315.00
IUPAC Name5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NCCc2noc(=O)[nH]2)c1Br
InChIInChI=1S/C9H10BrN5O3/c1-15-7(10)5(4-12-15)8(16)11-3-2-6-13-9(17)18-14-6/h4H,2-3H2,1H3,(H,11,16)(H,13,14,17)
InChIKeyPPZBJNPZJCJIHF-UHFFFAOYSA-N
XLogP-0.17
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide (CID 166234663) is 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide is Cn1ncc(C(=O)NCCc2noc(=O)[nH]2)c1Br.
What is the InChIKey of 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is PPZBJNPZJCJIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O3/c1-15-7(10)5(4-12-15)8(16)11-3-2-6-13-9(17)18-14-6/h4H,2-3H2,1H3,(H,11,16)(H,13,14,17).
What are the key properties of 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide?
5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 316.12 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 166234663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).