5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole

C9H12N4O — CID 94069253

IUPAC5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2cc(C)[nH]n2)n1
InChIInChI=1S/C9H12N4O/c1-3-4-8-10-9(14-13-8)7-5-6(2)11-12-7/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyOBXAQQJSEIJEMO-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.72
Rot. Bonds3

About 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole

5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole (PubChem CID 94069253) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole
PubChem CID94069253
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(-c2cc(C)[nH]n2)n1
InChIInChI=1S/C9H12N4O/c1-3-4-8-10-9(14-13-8)7-5-6(2)11-12-7/h5H,3-4H2,1-2H3,(H,11,12)
InChIKeyOBXAQQJSEIJEMO-UHFFFAOYSA-N
XLogP1.72
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 155963709
3-(1-methoxybutyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 154760139
3-(2-ethoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069225
3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622
1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]ethanamine
CID 66375198
5-(3-butyl-1,2,4-oxadiazol-5-yl)-1H-pyrazol-3-amine
CID 79404984
4-methyl-5-(3-propyl-1,2,4-oxadiazol-5-yl)thiophen-2-amine
CID 43670391
5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole
CID 86239923
[6-(3-propyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]methanamine
CID 81098785
N-[[4-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-N-propan-2-ylpropan-2-amine
CID 58538793
3-ethyl-5-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069244
N-(5-ethyl-1H-pyrazol-3-yl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115593804

Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole (CID 94069253) is 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole is CCCc1noc(-c2cc(C)[nH]n2)n1.
What is the InChIKey of 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole?
The InChIKey is OBXAQQJSEIJEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-3-4-8-10-9(14-13-8)7-5-6(2)11-12-7/h5H,3-4H2,1-2H3,(H,11,12).
What are the key properties of 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole?
5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole has a molecular weight of 192.22 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1H-pyrazol-3-yl)-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 94069253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).