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

C15H15N5O — CID 65262959

IUPAC3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(C3CNCc4ccccc43)n2)n1
InChIInChI=1S/C15H15N5O/c1-20-7-6-13(18-20)14-17-15(21-19-14)12-9-16-8-10-4-2-3-5-11(10)12/h2-7,12,16H,8-9H2,1H3
InChIKeyWRVDVLFMALITFI-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.71
Rot. Bonds2

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

3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole (PubChem CID 65262959) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
PubChem CID65262959
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
SMILESCn1ccc(-c2noc(C3CNCc4ccccc43)n2)n1
InChIInChI=1S/C15H15N5O/c1-20-7-6-13(18-20)14-17-15(21-19-14)12-9-16-8-10-4-2-3-5-11(10)12/h2-7,12,16H,8-9H2,1H3
InChIKeyWRVDVLFMALITFI-UHFFFAOYSA-N
XLogP1.71
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

3-pyridin-4-yl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
CID 65263054
3-(1-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
CID 79613471
3-(3-methoxypropyl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole
CID 65262857
(3S,5R)-5-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812820
3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371093
N-cyclopropyl-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole-3-carboxamide
CID 102790764
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 102894678
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65198281
(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanone
CID 103133164
4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 112742399
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715
N-(1-methylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260753

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole (CID 65262959) is 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole is Cn1ccc(-c2noc(C3CNCc4ccccc43)n2)n1.
What is the InChIKey of 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole?
The InChIKey is WRVDVLFMALITFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20-7-6-13(18-20)14-17-15(21-19-14)12-9-16-8-10-4-2-3-5-11(10)12/h2-7,12,16H,8-9H2,1H3.
What are the key properties of 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole has a molecular weight of 281.32 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-3-yl)-5-(1,2,3,4-tetrahydroisoquinolin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65262959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).