5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

C17H20N4O — CID 72937925

IUPAC5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1Cc1nc(C(C)C)no1
InChIInChI=1S/C17H20N4O/c1-11(2)17-18-16(22-20-17)10-15-12(3)19-21(13(15)4)14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3
InChIKeyBCBXOTOWGSHBTJ-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.59
Rot. Bonds4

About 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole

5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 72937925) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID72937925
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(C)c1Cc1nc(C(C)C)no1
InChIInChI=1S/C17H20N4O/c1-11(2)17-18-16(22-20-17)10-15-12(3)19-21(13(15)4)14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3
InChIKeyBCBXOTOWGSHBTJ-UHFFFAOYSA-N
XLogP3.59
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 72937925) is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is Cc1nn(-c2ccccc2)c(C)c1Cc1nc(C(C)C)no1.
What is the InChIKey of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is BCBXOTOWGSHBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-11(2)17-18-16(22-20-17)10-15-12(3)19-21(13(15)4)14-8-6-5-7-9-14/h5-9,11H,10H2,1-4H3.
What are the key properties of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 296.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 72937925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).