(1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

C15H19N3O — CID 79584475

IUPAC(1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESCc1c(C(O)C2NCCc3ccccc32)cnn1C
InChIInChI=1S/C15H19N3O/c1-10-13(9-17-18(10)2)15(19)14-12-6-4-3-5-11(12)7-8-16-14/h3-6,9,14-16,19H,7-8H2,1-2H3
InChIKeyAHKWPZVAANVWAE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.65
Rot. Bonds2

About (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol

(1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (PubChem CID 79584475) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
PubChem CID79584475
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
SMILESCc1c(C(O)C2NCCc3ccccc32)cnn1C
InChIInChI=1S/C15H19N3O/c1-10-13(9-17-18(10)2)15(19)14-12-6-4-3-5-11(12)7-8-16-14/h3-6,9,14-16,19H,7-8H2,1-2H3
InChIKeyAHKWPZVAANVWAE-UHFFFAOYSA-N
XLogP1.65
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The IUPAC name of (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol (CID 79584475) is (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol.
What is the SMILES notation for (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The canonical SMILES for (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is Cc1c(C(O)C2NCCc3ccccc32)cnn1C.
What is the InChIKey of (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
The InChIKey is AHKWPZVAANVWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-13(9-17-18(10)2)15(19)14-12-6-4-3-5-11(12)7-8-16-14/h3-6,9,14-16,19H,7-8H2,1-2H3.
What are the key properties of (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol?
(1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol has a molecular weight of 257.34 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-4-yl)-(1,2,3,4-tetrahydroisoquinolin-1-yl)methanol is sourced from PubChem (CID 79584475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).