4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide

C19H23N5O2 — CID 46086388

IUPAC4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)cc1
InChIInChI=1S/C19H23N5O2/c1-6-20-17(25)13-7-9-14(10-8-13)24-16(19(3,4)5)11-15(23-24)18-22-21-12(2)26-18/h7-11H,6H2,1-5H3,(H,20,25)
InChIKeyNYTJFZTUASVACO-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.28
Rot. Bonds4

About 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide

4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide (PubChem CID 46086388) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide
PubChem CID46086388
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)cc1
InChIInChI=1S/C19H23N5O2/c1-6-20-17(25)13-7-9-14(10-8-13)24-16(19(3,4)5)11-15(23-24)18-22-21-12(2)26-18/h7-11H,6H2,1-5H3,(H,20,25)
InChIKeyNYTJFZTUASVACO-UHFFFAOYSA-N
XLogP3.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 46086644
3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide
CID 46086446
N-[2-(cyclohexen-1-yl)ethyl]-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
CID 46086367
ethyl 5-tert-butyl-1-[4-(3-ethoxypropylcarbamoyl)phenyl]pyrazole-3-carboxylate
CID 71958284
N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide
CID 46086524
N-[4-[5-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]phenyl]benzamide
CID 162664109
[4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]phenyl]-thiomorpholin-4-ylmethanone
CID 46086317
N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide
CID 24720405
4-[4-chloro-5-methyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N,N-dipropylbenzamide
CID 46086264
3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 46086639
3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 46086567
3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46086418

Frequently Asked Questions

What is the IUPAC name of 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide?
The IUPAC name of 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide (CID 46086388) is 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide.
What is the SMILES notation for 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide?
The canonical SMILES for 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide is CCNC(=O)c1ccc(-n2nc(-c3nnc(C)o3)cc2C(C)(C)C)cc1.
What is the InChIKey of 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide?
The InChIKey is NYTJFZTUASVACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-6-20-17(25)13-7-9-14(10-8-13)24-16(19(3,4)5)11-15(23-24)18-22-21-12(2)26-18/h7-11H,6H2,1-5H3,(H,20,25).
What are the key properties of 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide?
4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide has a molecular weight of 353.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-ethylbenzamide is sourced from PubChem (CID 46086388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).