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

C17H23N3O — CID 106780194

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCn1nc(C)cc1CC1NCCc2cc(OC)ccc21
InChIInChI=1S/C17H23N3O/c1-4-20-14(9-12(2)19-20)11-17-16-6-5-15(21-3)10-13(16)7-8-18-17/h5-6,9-10,17-18H,4,7-8,11H2,1-3H3
InChIKeyFGXUHBMNDWQJIZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.65
Rot. Bonds4

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

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106780194) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID106780194
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
SMILESCCn1nc(C)cc1CC1NCCc2cc(OC)ccc21
InChIInChI=1S/C17H23N3O/c1-4-20-14(9-12(2)19-20)11-17-16-6-5-15(21-3)10-13(16)7-8-18-17/h5-6,9-10,17-18H,4,7-8,11H2,1-3H3
InChIKeyFGXUHBMNDWQJIZ-UHFFFAOYSA-N
XLogP2.65
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

1-[(2,5-dimethylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 106779921
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-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781104
6,7-dimethoxy-1-[(3-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 22643314
4-bromo-2-methoxy-5-[[(1S)-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 118001193
5-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 107683366
[2-methoxy-5-[(6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]phenyl] acetate
CID 53348424
6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-ol;hydrochloride
CID 90423697
(1S)-6,7-dimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 10969027

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline (CID 106780194) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline is CCn1nc(C)cc1CC1NCCc2cc(OC)ccc21.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FGXUHBMNDWQJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-20-14(9-12(2)19-20)11-17-16-6-5-15(21-3)10-13(16)7-8-18-17/h5-6,9-10,17-18H,4,7-8,11H2,1-3H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline?
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 285.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106780194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).