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

C14H17N3 — CID 104505002

IUPAC4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCn1nccc1CC1CNCc2ccccc21
InChIInChI=1S/C14H17N3/c1-17-13(6-7-16-17)8-12-10-15-9-11-4-2-3-5-14(11)12/h2-7,12,15H,8-10H2,1H3
InChIKeyMSOCFSOQAGCNCM-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.85
Rot. Bonds2

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

4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 104505002) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
PubChem CID104505002
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
SMILESCn1nccc1CC1CNCc2ccccc21
InChIInChI=1S/C14H17N3/c1-17-13(6-7-16-17)8-12-10-15-9-11-4-2-3-5-14(11)12/h2-7,12,15H,8-10H2,1H3
InChIKeyMSOCFSOQAGCNCM-UHFFFAOYSA-N
XLogP1.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethylphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505031
4-(2-pyrrolidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104880
4-[(4-propylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262220
4-(methylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104290
4-[[2-(2-methylpropyl)-1,2,4-triazol-3-yl]methyl]-1,2,3,4-tetrahydroisoquinoline
CID 106780076
N,N-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-4-yl)methanamine
CID 64989430
4-(propan-2-ylsulfonylmethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104292
4-[(2-methyl-2,3-dihydroindol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 65262029
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-2-amine
CID 65262461
4-[(2-propan-2-yloxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504939
4-[(3,4-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104505023
4-[(2,5-difluorophenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 104504996

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline (CID 104505002) is 4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is Cn1nccc1CC1CNCc2ccccc21.
What is the InChIKey of 4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MSOCFSOQAGCNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-17-13(6-7-16-17)8-12-10-15-9-11-4-2-3-5-14(11)12/h2-7,12,15H,8-10H2,1H3.
What are the key properties of 4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline?
4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 227.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 104505002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).