N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide

C21H27N5O2 — CID 46086368

IUPACN-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
SMILESCc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)NCC(C)(C)C)cc3)n2)o1
InChIInChI=1S/C21H27N5O2/c1-13(2)18-11-17(20-24-23-14(3)28-20)25-26(18)16-9-7-15(8-10-16)19(27)22-12-21(4,5)6/h7-11,13H,12H2,1-6H3,(H,22,27)
InChIKeyQTZIJACJUMSYID-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.13
Rot. Bonds5

About N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide

N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide (PubChem CID 46086368) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
PubChem CID46086368
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC NameN-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide
SMILESCc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)NCC(C)(C)C)cc3)n2)o1
InChIInChI=1S/C21H27N5O2/c1-13(2)18-11-17(20-24-23-14(3)28-20)25-26(18)16-9-7-15(8-10-16)19(27)22-12-21(4,5)6/h7-11,13H,12H2,1-6H3,(H,22,27)
InChIKeyQTZIJACJUMSYID-UHFFFAOYSA-N
XLogP4.13
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?
The IUPAC name of N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide (CID 46086368) is N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide is Cc1nnc(-c2cc(C(C)C)n(-c3ccc(C(=O)NCC(C)(C)C)cc3)n2)o1.
What is the InChIKey of N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?
The InChIKey is QTZIJACJUMSYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-13(2)18-11-17(20-24-23-14(3)28-20)25-26(18)16-9-7-15(8-10-16)19(27)22-12-21(4,5)6/h7-11,13H,12H2,1-6H3,(H,22,27).
What are the key properties of N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide?
N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide has a molecular weight of 381.48 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-5-propan-2-ylpyrazol-1-yl]benzamide is sourced from PubChem (CID 46086368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).