3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole

C15H14N4O — CID 71924876

IUPAC3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C15H14N4O/c1-19-10-11(9-16-19)13-17-14(20-18-13)15(7-8-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyJPHRAFJXFJFXJX-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.55
Rot. Bonds3

About 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole

3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 71924876) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
PubChem CID71924876
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3(c4ccccc4)CC3)n2)cn1
InChIInChI=1S/C15H14N4O/c1-19-10-11(9-16-19)13-17-14(20-18-13)15(7-8-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3
InChIKeyJPHRAFJXFJFXJX-UHFFFAOYSA-N
XLogP2.55
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole (CID 71924876) is 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C3(c4ccccc4)CC3)n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is JPHRAFJXFJFXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-10-11(9-16-19)13-17-14(20-18-13)15(7-8-15)12-5-3-2-4-6-12/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 266.30 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 71924876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).