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

C11H15BrN6O2 — CID 5299472

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C11H15BrN6O2/c1-17(2)4-3-13-10(19)11-15-9(16-20-11)7-18-6-8(12)5-14-18/h5-6H,3-4,7H2,1-2H3,(H,13,19)
InChIKeyOHPQRQLVHDETSV-UHFFFAOYSA-N
MW343.19 g/mol
LogP0.37
Rot. Bonds6

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

3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 5299472) has the molecular formula C11H15BrN6O2 and a molecular weight of 343.19 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID5299472
Molecular FormulaC11H15BrN6O2
Molecular Weight343.19 g/mol
Exact Mass342.04
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCN(C)CCNC(=O)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C11H15BrN6O2/c1-17(2)4-3-13-10(19)11-15-9(16-20-11)7-18-6-8(12)5-14-18/h5-6H,3-4,7H2,1-2H3,(H,13,19)
InChIKeyOHPQRQLVHDETSV-UHFFFAOYSA-N
XLogP0.37
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.19
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[3-(1H-imidazol-1-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299473
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53626016
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 56780227
N-(2-aminoethyl)-3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027143
N-(2-aminoethyl)-3-[(4-iodopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 8027145
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrazol-1-ylethanamine
CID 53618403
3-[(4-bromo-1H-pyrazol-1-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 61029217
N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}-3-(4-methyl-1H-pyrazol-1-yl)propanamide
CID 91842632
(1S)-1-(3-butyl-1,2,4-oxadiazol-5-yl)-N-[2-(4-methylpyrazol-1-yl)ethyl]ethanamine
CID 95352970
N-((3-(1-ethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl)methyl)acetamide
CID 121195122
N-{[3-(1-ethyl-1H-pyrazol-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-4-methylpiperazine-1-carboxamide
CID 121195144
(5S)-5-[3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one
CID 164641055

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide (CID 5299472) is 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is CN(C)CCNC(=O)c1nc(Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is OHPQRQLVHDETSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6O2/c1-17(2)4-3-13-10(19)11-15-9(16-20-11)7-18-6-8(12)5-14-18/h5-6H,3-4,7H2,1-2H3,(H,13,19).
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide?
3-[(4-bromopyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 343.19 g/mol, XLogP of 0.37, 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-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 5299472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).