3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

C18H17FN6O — CID 154838469

IUPAC3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1cc(-c2nc(Cc3cccc(F)c3)no2)[nH]n1
InChIInChI=1S/C18H17FN6O/c1-10-17(11(2)25(3)23-10)14-9-15(22-21-14)18-20-16(24-26-18)8-12-5-4-6-13(19)7-12/h4-7,9H,8H2,1-3H3,(H,21,22)
InChIKeyMGWKGKSPVATDDG-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.21
Rot. Bonds4

About 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole

3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (PubChem CID 154838469) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
PubChem CID154838469
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole
SMILESCc1nn(C)c(C)c1-c1cc(-c2nc(Cc3cccc(F)c3)no2)[nH]n1
InChIInChI=1S/C18H17FN6O/c1-10-17(11(2)25(3)23-10)14-9-15(22-21-14)18-20-16(24-26-18)8-12-5-4-6-13(19)7-12/h4-7,9H,8H2,1-3H3,(H,21,22)
InChIKeyMGWKGKSPVATDDG-UHFFFAOYSA-N
XLogP3.21
TPSA85.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole (CID 154838469) is 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is Cc1nn(C)c(C)c1-c1cc(-c2nc(Cc3cccc(F)c3)no2)[nH]n1.
What is the InChIKey of 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is MGWKGKSPVATDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-10-17(11(2)25(3)23-10)14-9-15(22-21-14)18-20-16(24-26-18)8-12-5-4-6-13(19)7-12/h4-7,9H,8H2,1-3H3,(H,21,22).
What are the key properties of 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole?
3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 352.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methyl]-5-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 154838469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).