3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C14H13ClN4O — CID 8520601

IUPAC3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCC(C)c1cc(-c2nc(-c3cccc(Cl)c3)no2)n[nH]1
InChIInChI=1S/C14H13ClN4O/c1-8(2)11-7-12(18-17-11)14-16-13(19-20-14)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H,17,18)
InChIKeyGGYFNAHMZASEEI-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.90
Rot. Bonds3

About 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 8520601) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID8520601
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCC(C)c1cc(-c2nc(-c3cccc(Cl)c3)no2)n[nH]1
InChIInChI=1S/C14H13ClN4O/c1-8(2)11-7-12(18-17-11)14-16-13(19-20-14)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H,17,18)
InChIKeyGGYFNAHMZASEEI-UHFFFAOYSA-N
XLogP3.90
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 8520601) is 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is CC(C)c1cc(-c2nc(-c3cccc(Cl)c3)no2)n[nH]1.
What is the InChIKey of 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is GGYFNAHMZASEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-8(2)11-7-12(18-17-11)14-16-13(19-20-14)9-4-3-5-10(15)6-9/h3-8H,1-2H3,(H,17,18).
What are the key properties of 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 288.74 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-5-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 8520601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).