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

C16H21N3 — CID 64770877

IUPAC1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)n1ccc(CC2NCCc3ccccc32)n1
InChIInChI=1S/C16H21N3/c1-12(2)19-10-8-14(18-19)11-16-15-6-4-3-5-13(15)7-9-17-16/h3-6,8,10,12,16-17H,7,9,11H2,1-2H3
InChIKeyUCXFFIQNHNRJEC-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.89
Rot. Bonds3

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

1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 64770877) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID64770877
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)n1ccc(CC2NCCc3ccccc32)n1
InChIInChI=1S/C16H21N3/c1-12(2)19-10-8-14(18-19)11-16-15-6-4-3-5-13(15)7-9-17-16/h3-6,8,10,12,16-17H,7,9,11H2,1-2H3
InChIKeyUCXFFIQNHNRJEC-UHFFFAOYSA-N
XLogP2.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 64770877) is 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is CC(C)n1ccc(CC2NCCc3ccccc32)n1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UCXFFIQNHNRJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12(2)19-10-8-14(18-19)11-16-15-6-4-3-5-13(15)7-9-17-16/h3-6,8,10,12,16-17H,7,9,11H2,1-2H3.
What are the key properties of 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 255.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 64770877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).