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

C13H16BrN5O2 — CID 17082782

IUPAC3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C13H16BrN5O2/c14-9-6-15-19(7-9)8-11-17-13(21-18-11)12(20)16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,16,20)
InChIKeyBHSBJJAQAOMLSD-UHFFFAOYSA-N
MW354.21 g/mol
LogP2.14
Rot. Bonds4

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

3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 17082782) has the molecular formula C13H16BrN5O2 and a molecular weight of 354.21 g/mol. Its IUPAC name is 3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
PubChem CID17082782
Molecular FormulaC13H16BrN5O2
Molecular Weight354.21 g/mol
Exact Mass353.05
IUPAC Name3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(Cn2cc(Br)cn2)no1
InChIInChI=1S/C13H16BrN5O2/c14-9-6-15-19(7-9)8-11-17-13(21-18-11)12(20)16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,16,20)
InChIKeyBHSBJJAQAOMLSD-UHFFFAOYSA-N
XLogP2.14
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-butyl-1,2,4-oxadiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 53606012
(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
1-Cyclohexyl-3-[[3-(pyrazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 127319297
(5S)-5-[3-[(4-bromopyrazol-1-yl)methyl]-1,2,4-oxadiazol-5-yl]-1-methylpiperazin-2-one
CID 164641055
N-(1-adamantylmethyl)-3-[(4-bromo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5301170
N-(cyclohexylmethyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5296993
3-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[2-(dimethylamino)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299472
N-[2-(dimethylamino)ethyl]-3-[(4-iodo-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299479
2-[[3-[(4-Bromopyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7343271

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide (CID 17082782) is 3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide is O=C(NC1CCCCC1)c1nc(Cn2cc(Br)cn2)no1.
What is the InChIKey of 3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is BHSBJJAQAOMLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O2/c14-9-6-15-19(7-9)8-11-17-13(21-18-11)12(20)16-10-4-2-1-3-5-10/h6-7,10H,1-5,8H2,(H,16,20).
What are the key properties of 3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide?
3-[(4-bromopyrazol-1-yl)methyl]-N-cyclohexyl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 354.21 g/mol, XLogP of 2.14, 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-cyclohexyl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 17082782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).