4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline

C14H17N3 — CID 112742399

IUPAC4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cnn(C)c1C1CNCc2ccccc21
InChIInChI=1S/C14H17N3/c1-10-7-16-17(2)14(10)13-9-15-8-11-5-3-4-6-12(11)13/h3-7,13,15H,8-9H2,1-2H3
InChIKeyGRTKEVDYLDZDFA-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.96
Rot. Bonds1

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

4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 112742399) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID112742399
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cnn(C)c1C1CNCc2ccccc21
InChIInChI=1S/C14H17N3/c1-10-7-16-17(2)14(10)13-9-15-8-11-5-3-4-6-12(11)13/h3-7,13,15H,8-9H2,1-2H3
InChIKeyGRTKEVDYLDZDFA-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline (CID 112742399) is 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline is Cc1cnn(C)c1C1CNCc2ccccc21.
What is the InChIKey of 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is GRTKEVDYLDZDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-7-16-17(2)14(10)13-9-15-8-11-5-3-4-6-12(11)13/h3-7,13,15H,8-9H2,1-2H3.
What are the key properties of 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline?
4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 227.31 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethylpyrazol-5-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 112742399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).