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

C24H31N5O2 — CID 46086446

IUPAC3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide
SMILESCc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NC4CCC(C)CC4)c3)n2)o1
InChIInChI=1S/C24H31N5O2/c1-15-9-11-18(12-10-15)25-22(30)17-7-6-8-19(13-17)29-21(24(3,4)5)14-20(28-29)23-27-26-16(2)31-23/h6-8,13-15,18H,9-12H2,1-5H3,(H,25,30)
InChIKeySQGCXRANIWFBJM-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.84
Rot. Bonds4

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

3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide (PubChem CID 46086446) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide
PubChem CID46086446
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide
SMILESCc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NC4CCC(C)CC4)c3)n2)o1
InChIInChI=1S/C24H31N5O2/c1-15-9-11-18(12-10-15)25-22(30)17-7-6-8-19(13-17)29-21(24(3,4)5)14-20(28-29)23-27-26-16(2)31-23/h6-8,13-15,18H,9-12H2,1-5H3,(H,25,30)
InChIKeySQGCXRANIWFBJM-UHFFFAOYSA-N
XLogP4.84
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.84
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
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
3-[5-cyclopropyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(pyridin-2-ylmethyl)benzamide
CID 46086418
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
N-cyclopropyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 110693154
N-(1-methylpiperidin-4-yl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 139000751
3-(2,2-dimethylpropanoylamino)-N-(4-methylcyclohexyl)benzamide
CID 134057675
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-[(2R)-2-ethylhexyl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
CID 92768755
3-methyl-N-(3-methylcyclopentyl)benzamide
CID 114550136
N-cyclopropyl-4-[2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 21078792
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634

Frequently Asked Questions

What is the IUPAC name of 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide (CID 46086446) is 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide is Cc1nnc(-c2cc(C(C)(C)C)n(-c3cccc(C(=O)NC4CCC(C)CC4)c3)n2)o1.
What is the InChIKey of 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide?
The InChIKey is SQGCXRANIWFBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-15-9-11-18(12-10-15)25-22(30)17-7-6-8-19(13-17)29-21(24(3,4)5)14-20(28-29)23-27-26-16(2)31-23/h6-8,13-15,18H,9-12H2,1-5H3,(H,25,30).
What are the key properties of 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide?
3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide has a molecular weight of 421.55 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-tert-butyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 46086446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).