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

C14H13BrN6O2 — CID 5299475

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C14H13BrN6O2/c15-10-7-18-21(8-10)9-12-19-14(23-20-12)13(22)17-6-4-11-3-1-2-5-16-11/h1-3,5,7-8H,4,6,9H2,(H,17,22)
InChIKeyCQNKSSNAEHJWIA-UHFFFAOYSA-N
MW377.20 g/mol
LogP1.44
Rot. Bonds6

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

3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5299475) has the molecular formula C14H13BrN6O2 and a molecular weight of 377.20 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID5299475
Molecular FormulaC14H13BrN6O2
Molecular Weight377.20 g/mol
Exact Mass376.03
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCc1ccccn1)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C14H13BrN6O2/c15-10-7-18-21(8-10)9-12-19-14(23-20-12)13(22)17-6-4-11-3-1-2-5-16-11/h1-3,5,7-8H,4,6,9H2,(H,17,22)
InChIKeyCQNKSSNAEHJWIA-UHFFFAOYSA-N
XLogP1.44
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide (CID 5299475) is 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide is O=C(NCCc1ccccn1)c1nc(Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is CQNKSSNAEHJWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN6O2/c15-10-7-18-21(8-10)9-12-19-14(23-20-12)13(22)17-6-4-11-3-1-2-5-16-11/h1-3,5,7-8H,4,6,9H2,(H,17,22).
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 377.20 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromopyrazol-1-yl)methyl]-N-(2-pyridin-2-ylethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5299475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).