8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

C15H19N3 — CID 114197799

IUPAC8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)n1nccc1-c1cccc2c1CNCC2
InChIInChI=1S/C15H19N3/c1-11(2)18-15(7-9-17-18)13-5-3-4-12-6-8-16-10-14(12)13/h3-5,7,9,11,16H,6,8,10H2,1-2H3
InChIKeyUEIAKDITJBKKBE-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.78
Rot. Bonds2

About 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline

8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 114197799) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID114197799
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)n1nccc1-c1cccc2c1CNCC2
InChIInChI=1S/C15H19N3/c1-11(2)18-15(7-9-17-18)13-5-3-4-12-6-8-16-10-14(12)13/h3-5,7,9,11,16H,6,8,10H2,1-2H3
InChIKeyUEIAKDITJBKKBE-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(propan-2-ylsulfanylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104136
8-(5-methylfuran-2-yl)-1,2,3,4-tetrahydroisoquinoline
CID 166247300
8-(1-propylpyrazol-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 103144129
8-(2,4,5-trifluorophenyl)-1,2,3,4-tetrahydroisoquinoline
CID 103144140
(1S)-N-methyl-1-(1,2,3,4-tetrahydroisoquinolin-8-yl)ethanamine
CID 137382325
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)aniline
CID 22493387
3-(2-propan-2-ylpyrazol-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 114197754
8-(2,3,4-trimethylphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 142903314
8-(2,3-dihydro-1-benzofuran-7-yl)-1,2,3,4-tetrahydroisoquinoline
CID 106781675
8-(propan-2-yloxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 106780643
8-bromo-1,2,3,4-tetrahydroisoquinoline;ethane
CID 143708719
5-(1,2,3,4-tetrahydroisoquinolin-8-yl)furan-2-carbaldehyde
CID 169333519

Frequently Asked Questions

What is the IUPAC name of 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline (CID 114197799) is 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is CC(C)n1nccc1-c1cccc2c1CNCC2.
What is the InChIKey of 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UEIAKDITJBKKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11(2)18-15(7-9-17-18)13-5-3-4-12-6-8-16-10-14(12)13/h3-5,7,9,11,16H,6,8,10H2,1-2H3.
What are the key properties of 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline?
8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 241.34 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-propan-2-ylpyrazol-3-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 114197799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).