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

C9H10BrN5O2 — CID 17082779

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCNC(=O)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C9H10BrN5O2/c1-2-11-8(16)9-13-7(14-17-9)5-15-4-6(10)3-12-15/h3-4H,2,5H2,1H3,(H,11,16)
InChIKeyDMUIMCFXZCVNMW-UHFFFAOYSA-N
MW300.12 g/mol
LogP0.83
Rot. Bonds4

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

3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17082779) has the molecular formula C9H10BrN5O2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID17082779
Molecular FormulaC9H10BrN5O2
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide
SMILESCCNC(=O)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C9H10BrN5O2/c1-2-11-8(16)9-13-7(14-17-9)5-15-4-6(10)3-12-15/h3-4H,2,5H2,1H3,(H,11,16)
InChIKeyDMUIMCFXZCVNMW-UHFFFAOYSA-N
XLogP0.83
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-bromopyrazol-1-yl)methyl]-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 16765775
methyl 4-[[[3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl]amino]methyl]benzoate
CID 17082787
3-[(4-bromopyrazol-1-yl)methyl]-N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5311625
3-[(4-bromopyrazol-1-yl)methyl]-5-ethyl-1,2,4-oxadiazole
CID 61496925
3-[(4-bromopyrazol-1-yl)methyl]-5-propan-2-yl-1,2,4-oxadiazole
CID 55137788
N-(2-methoxyethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17082806
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084960
3-[(4-bromopyrazol-1-yl)methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 61495208
N-[2-[(2-ethoxybenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084970
N-[2-[(3,4-diethoxybenzoyl)amino]ethyl]-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084961
N-[2-[(4-methylbenzoyl)amino]ethyl]-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 17084591
3-[(4-chloropyrazol-1-yl)methyl]-N-[2-(furan-2-carbonylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 16765838

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide (CID 17082779) is 3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide is CCNC(=O)c1nc(Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is DMUIMCFXZCVNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O2/c1-2-11-8(16)9-13-7(14-17-9)5-15-4-6(10)3-12-15/h3-4H,2,5H2,1H3,(H,11,16).
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide?
3-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 300.12 g/mol, XLogP of 0.83, 4 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-ethyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17082779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).