1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline

C16H21N3O — CID 106779921

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2Cc1cc(C)nn1C
InChIInChI=1S/C16H21N3O/c1-11-8-13(19(2)18-11)10-16-15-5-4-14(20-3)9-12(15)6-7-17-16/h4-5,8-9,16-17H,6-7,10H2,1-3H3
InChIKeyPVCKXMCZTBRTCC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.17
Rot. Bonds3

About 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline

1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106779921) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID106779921
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)CCNC2Cc1cc(C)nn1C
InChIInChI=1S/C16H21N3O/c1-11-8-13(19(2)18-11)10-16-15-5-4-14(20-3)9-12(15)6-7-17-16/h4-5,8-9,16-17H,6-7,10H2,1-3H3
InChIKeyPVCKXMCZTBRTCC-UHFFFAOYSA-N
XLogP2.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106780194
6-methoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 143954648
1-[(3,5-dimethylphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106777888
4-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 96977662
6-methoxy-1-octyl-1,2,3,4-tetrahydroisoquinoline
CID 106778477
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781104
4-bromo-2-methoxy-5-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 118001193
[2-methoxy-5-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl] acetate
CID 53348424
CID 68821160
CID 68821160
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 106779921) is 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)CCNC2Cc1cc(C)nn1C.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is PVCKXMCZTBRTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-8-13(19(2)18-11)10-16-15-5-4-14(20-3)9-12(15)6-7-17-16/h4-5,8-9,16-17H,6-7,10H2,1-3H3.
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 271.36 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106779921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).