5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C16H21N3O — CID 110539764

IUPAC5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCOc1ccccc1-c1n[nH]c2c1CN(C)CC2
InChIInChI=1S/C16H21N3O/c1-3-10-20-15-7-5-4-6-12(15)16-13-11-19(2)9-8-14(13)17-18-16/h4-7H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyIFFUGIUKEZKDTK-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.85
Rot. Bonds4

About 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110539764) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110539764
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCOc1ccccc1-c1n[nH]c2c1CN(C)CC2
InChIInChI=1S/C16H21N3O/c1-3-10-20-15-7-5-4-6-12(15)16-13-11-19(2)9-8-14(13)17-18-16/h4-7H,3,8-11H2,1-2H3,(H,17,18)
InChIKeyIFFUGIUKEZKDTK-UHFFFAOYSA-N
XLogP2.85
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine 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 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110539764) is 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCOc1ccccc1-c1n[nH]c2c1CN(C)CC2.
What is the InChIKey of 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is IFFUGIUKEZKDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-10-20-15-7-5-4-6-12(15)16-13-11-19(2)9-8-14(13)17-18-16/h4-7H,3,8-11H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 271.36 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-propoxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110539764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).