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

C16H18N4O — CID 72888191

IUPAC5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C16H18N4O/c1-4-15-17-16(21-19-15)10-14-11(2)18-20(12(14)3)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3
InChIKeyTZRRKTLCYMSTSD-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.03
Rot. Bonds4

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

5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 72888191) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID72888191
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1
InChIInChI=1S/C16H18N4O/c1-4-15-17-16(21-19-15)10-14-11(2)18-20(12(14)3)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3
InChIKeyTZRRKTLCYMSTSD-UHFFFAOYSA-N
XLogP3.03
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.03
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-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole (CID 72888191) is 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(Cc2c(C)nn(-c3ccccc3)c2C)n1.
What is the InChIKey of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is TZRRKTLCYMSTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-4-15-17-16(21-19-15)10-14-11(2)18-20(12(14)3)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3.
What are the key properties of 5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole?
5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 282.35 g/mol, XLogP of 3.03, 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-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 72888191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).