1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

C15H19N3O — CID 106778173

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCCn1cc(CC2NCCc3ccc(O)cc32)cn1
InChIInChI=1S/C15H19N3O/c1-2-18-10-11(9-17-18)7-15-14-8-13(19)4-3-12(14)5-6-16-15/h3-4,8-10,15-16,19H,2,5-7H2,1H3
InChIKeySQWAMSFCPZXFSI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds3

About 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol

1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol (PubChem CID 106778173) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
PubChem CID106778173
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol
SMILESCCn1cc(CC2NCCc3ccc(O)cc32)cn1
InChIInChI=1S/C15H19N3O/c1-2-18-10-11(9-17-18)7-15-14-8-13(19)4-3-12(14)5-6-16-15/h3-4,8-10,15-16,19H,2,5-7H2,1H3
InChIKeySQWAMSFCPZXFSI-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778678
4-[[(1S)-7-ethoxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]phenol
CID 95988928
1-[(3-hydroxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol
CID 22298077
1-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778106
2-[(1-ethylpyrazol-4-yl)methyl]piperidine
CID 62232960
1-ethyl-4-(oxiran-2-ylmethyl)pyrazole
CID 115410523
(1S)-1-[(3,5-dibromo-4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 10118674
4-[[(1-ethylpyrazol-4-yl)methylamino]methyl]phenol
CID 19627439
1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
CID 3013964
1-(2,3-dihydro-1H-indol-5-yl)-2-(1-ethylpyrazol-4-yl)ethanone
CID 116554273
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794
2-[(1-ethylpyrazol-4-yl)methyl]cyclopentan-1-ol
CID 62127889

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol (CID 106778173) is 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol is CCn1cc(CC2NCCc3ccc(O)cc32)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
The InChIKey is SQWAMSFCPZXFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-18-10-11(9-17-18)7-15-14-8-13(19)4-3-12(14)5-6-16-15/h3-4,8-10,15-16,19H,2,5-7H2,1H3.
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol?
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol has a molecular weight of 257.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-7-ol is sourced from PubChem (CID 106778173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).