5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

C14H15N5O — CID 72868764

IUPAC5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCn1ncc(-c2nc(-c3ccncc3)no2)c1C
InChIInChI=1S/C14H15N5O/c1-3-8-19-10(2)12(9-16-19)14-17-13(18-20-14)11-4-6-15-7-5-11/h4-7,9H,3,8H2,1-2H3
InChIKeyJIPWQKQCXVKYQH-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.71
Rot. Bonds4

About 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 72868764) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID72868764
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCCCn1ncc(-c2nc(-c3ccncc3)no2)c1C
InChIInChI=1S/C14H15N5O/c1-3-8-19-10(2)12(9-16-19)14-17-13(18-20-14)11-4-6-15-7-5-11/h4-7,9H,3,8H2,1-2H3
InChIKeyJIPWQKQCXVKYQH-UHFFFAOYSA-N
XLogP2.71
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 72868764) is 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is CCCn1ncc(-c2nc(-c3ccncc3)no2)c1C.
What is the InChIKey of 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is JIPWQKQCXVKYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-3-8-19-10(2)12(9-16-19)14-17-13(18-20-14)11-4-6-15-7-5-11/h4-7,9H,3,8H2,1-2H3.
What are the key properties of 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 269.31 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1-propylpyrazol-4-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 72868764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).