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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Related Compounds

3-(3-methylsulfonylphenyl)-5-(1-propyl-5-pyridin-4-ylpyrazol-4-yl)-1,2,4-oxadiazole
CID 90897981
5-[1-(2-methylpropyl)-5-pyridin-4-ylpyrazol-4-yl]-3-(4-propylphenyl)-1,2,4-oxadiazole
CID 158045974
4-(1-ethyl-5-methylpyrazol-4-yl)pyridine
CID 157015319
3-(1-propylbenzotriazol-5-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 53095322
5-(5-methyl-1-propylpyrazol-4-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97454544
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
5-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99130352
5-(1-methyl-5-propylpyrazol-4-yl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 2807799
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071
4-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-1-methylpyrazol-5-amine
CID 43627422
5-(4,5-dimethoxy-2-methylphenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 71142014
3-[4-(5-propyl-2-pyridinyl)phenyl]-5-pyridin-4-yl-1,2,4-oxadiazole
CID 4218564

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).