3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

C8H8BrN5O2 — CID 17082778

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C8H8BrN5O2/c1-10-7(15)8-12-6(13-16-8)4-14-3-5(9)2-11-14/h2-3H,4H2,1H3,(H,10,15)
InChIKeyMKADGTFCUPMDNR-UHFFFAOYSA-N
MW286.09 g/mol
LogP0.44
Rot. Bonds3

About 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide

3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17082778) has the molecular formula C8H8BrN5O2 and a molecular weight of 286.09 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID17082778
Molecular FormulaC8H8BrN5O2
Molecular Weight286.09 g/mol
Exact Mass284.99
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
SMILESCNC(=O)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C8H8BrN5O2/c1-10-7(15)8-12-6(13-16-8)4-14-3-5(9)2-11-14/h2-3H,4H2,1H3,(H,10,15)
InChIKeyMKADGTFCUPMDNR-UHFFFAOYSA-N
XLogP0.44
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.09
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide (CID 17082778) is 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is CNC(=O)c1nc(Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MKADGTFCUPMDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN5O2/c1-10-7(15)8-12-6(13-16-8)4-14-3-5(9)2-11-14/h2-3H,4H2,1H3,(H,10,15).
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide?
3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 286.09 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17082778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).