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

C15H15N5O — CID 65196042

IUPAC3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3Cc4ccccc4CN3)n2)cn1
InChIInChI=1S/C15H15N5O/c1-20-9-12(8-17-20)14-18-15(21-19-14)13-6-10-4-2-3-5-11(10)7-16-13/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyAZBHSRLEPDEVIE-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.86
Rot. Bonds2

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

3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 65196042) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID65196042
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
SMILESCn1cc(-c2noc(C3Cc4ccccc4CN3)n2)cn1
InChIInChI=1S/C15H15N5O/c1-20-9-12(8-17-20)14-18-15(21-19-14)13-6-10-4-2-3-5-11(10)7-16-13/h2-5,8-9,13,16H,6-7H2,1H3
InChIKeyAZBHSRLEPDEVIE-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,3-dihydro-1H-indol-2-yl)-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 65196596
3-(1-methylpyrazol-4-yl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832492
5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 28539833
5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-3-(1,3-thiazol-4-yl)-1,2,4-oxadiazole
CID 104915425
3-(1-methylcyclopropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895668
5-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790405
3-butyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole
CID 79404336
N,N-diethyl-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazol-3-amine
CID 116806191
3-(methylsulfonylmethyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895631
3-(3-methoxypropyl)-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole
CID 104895641
2-[3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 65196544
N-cyclopropyl-5-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-1,2,4-oxadiazole-3-carboxamide
CID 102790954

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole (CID 65196042) is 3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole is Cn1cc(-c2noc(C3Cc4ccccc4CN3)n2)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is AZBHSRLEPDEVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-20-9-12(8-17-20)14-18-15(21-19-14)13-6-10-4-2-3-5-11(10)7-16-13/h2-5,8-9,13,16H,6-7H2,1H3.
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole?
3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 281.32 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-(1,2,3,4-tetrahydroisoquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65196042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).