N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide

C23H31N5O2 — CID 46086524

IUPACN-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide
SMILESCc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NC(C)C(C)(C)C)c3)n2)o1
InChIInChI=1S/C23H31N5O2/c1-14(2)11-19-13-20(22-26-25-16(4)30-22)27-28(19)18-10-8-9-17(12-18)21(29)24-15(3)23(5,6)7/h8-10,12-15H,11H2,1-7H3,(H,24,29)
InChIKeyDJSAXVJUUJWJOV-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.59
Rot. Bonds6

About N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide

N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide (PubChem CID 46086524) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide
PubChem CID46086524
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide
SMILESCc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NC(C)C(C)(C)C)c3)n2)o1
InChIInChI=1S/C23H31N5O2/c1-14(2)11-19-13-20(22-26-25-16(4)30-22)27-28(19)18-10-8-9-17(12-18)21(29)24-15(3)23(5,6)7/h8-10,12-15H,11H2,1-7H3,(H,24,29)
InChIKeyDJSAXVJUUJWJOV-UHFFFAOYSA-N
XLogP4.59
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(2-thiophen-2-ylethyl)benzamide
CID 46086612
3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]-N-(4-phenylbutyl)benzamide
CID 46086567
[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 92769010
3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(1,2-diphenylethyl)benzamide
CID 46086557
N-[(2-fluorophenyl)methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide
CID 24720405
N-[(1R)-1-(4-bromophenyl)ethyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
CID 92819702
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]benzamide
CID 92770721
3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide
CID 46086446
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-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 46086644
N-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
CID 92768755
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 N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide?
The IUPAC name of 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) is N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide is Cc1nnc(-c2cc(CC(C)C)n(-c3cccc(C(=O)NC(C)C(C)(C)C)c3)n2)o1.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide?
The InChIKey is DJSAXVJUUJWJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-14(2)11-19-13-20(22-26-25-16(4)30-22)27-28(19)18-10-8-9-17(12-18)21(29)24-15(3)23(5,6)7/h8-10,12-15H,11H2,1-7H3,(H,24,29).
What are the key properties of N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide?
N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide has a molecular weight of 409.53 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-(2-methylpropyl)pyrazol-1-yl]benzamide is sourced from PubChem (CID 46086524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).