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

C22H29N5O2 — CID 46090552

IUPAC3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide
SMILESCc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCC(C)C)c3)n2)o1
InChIInChI=1S/C22H29N5O2/c1-14(2)9-10-19-12-20(22-25-24-16(5)29-22)26-27(19)18-8-6-7-17(11-18)21(28)23-13-15(3)4/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H,23,28)
InChIKeySXGXQLHPAYWMID-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.21
Rot. Bonds8

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

3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide (PubChem CID 46090552) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide
PubChem CID46090552
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide
SMILESCc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCC(C)C)c3)n2)o1
InChIInChI=1S/C22H29N5O2/c1-14(2)9-10-19-12-20(22-25-24-16(5)29-22)26-27(19)18-8-6-7-17(11-18)21(28)23-13-15(3)4/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H,23,28)
InChIKeySXGXQLHPAYWMID-UHFFFAOYSA-N
XLogP4.21
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide (CID 46090552) is 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide is Cc1nnc(-c2cc(CCC(C)C)n(-c3cccc(C(=O)NCC(C)C)c3)n2)o1.
What is the InChIKey of 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide?
The InChIKey is SXGXQLHPAYWMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-14(2)9-10-19-12-20(22-25-24-16(5)29-22)26-27(19)18-8-6-7-17(11-18)21(28)23-13-15(3)4/h6-8,11-12,14-15H,9-10,13H2,1-5H3,(H,23,28).
What are the key properties of 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide?
3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide has a molecular weight of 395.51 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methylbutyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrazol-1-yl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46090552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).