1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

C17H23N3 — CID 64778428

IUPAC1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCC(C)n1ccc(CC2NCCc3ccccc32)n1
InChIInChI=1S/C17H23N3/c1-3-13(2)20-11-9-15(19-20)12-17-16-7-5-4-6-14(16)8-10-18-17/h4-7,9,11,13,17-18H,3,8,10,12H2,1-2H3
InChIKeyUYZRKYRTTHGZCC-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.28
Rot. Bonds4

About 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64778428) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID64778428
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCCC(C)n1ccc(CC2NCCc3ccccc32)n1
InChIInChI=1S/C17H23N3/c1-3-13(2)20-11-9-15(19-20)12-17-16-7-5-4-6-14(16)8-10-18-17/h4-7,9,11,13,17-18H,3,8,10,12H2,1-2H3
InChIKeyUYZRKYRTTHGZCC-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 64770877
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64801618
(1S)-1-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 40527795
1-[(5-ethyl-2-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 79748375
2-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidine
CID 64778907
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-one
CID 114451530
1,2,3,4-tetrahydroisoquinolin-1-ylmethanol
CID 51358587
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2,3-dihydro-1H-inden-2-amine
CID 107851970
1-methyl-N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)pyrazol-3-amine
CID 103568632
1-(1,2,3,4-tetrahydroisoquinolin-1-yl)propan-1-ol
CID 583448
3-[(1-butan-2-ylpyrazol-3-yl)methyl]piperidin-4-ol
CID 114451905
5-phenyl-3-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)-1,2-oxazole
CID 18536681

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 64778428) is 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CCC(C)n1ccc(CC2NCCc3ccccc32)n1.
What is the InChIKey of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UYZRKYRTTHGZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-3-13(2)20-11-9-15(19-20)12-17-16-7-5-4-6-14(16)8-10-18-17/h4-7,9,11,13,17-18H,3,8,10,12H2,1-2H3.
What are the key properties of 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 269.39 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64778428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).