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

C22H25N3O — CID 110536009

IUPAC5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(-c3ccc(OCCCc4ccccc4)cc3)c2C1
InChIInChI=1S/C22H25N3O/c1-25-14-13-21-20(16-25)22(24-23-21)18-9-11-19(12-10-18)26-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,23,24)
InChIKeyXFWDCMOMWHLQCZ-UHFFFAOYSA-N
MW347.46 g/mol
LogP4.08
Rot. Bonds6

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

5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 110536009) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is 5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID110536009
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC Name5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCN1CCc2[nH]nc(-c3ccc(OCCCc4ccccc4)cc3)c2C1
InChIInChI=1S/C22H25N3O/c1-25-14-13-21-20(16-25)22(24-23-21)18-9-11-19(12-10-18)26-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,23,24)
InChIKeyXFWDCMOMWHLQCZ-UHFFFAOYSA-N
XLogP4.08
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-methyl-3-[4-(3-phenylpropoxy)phenyl]-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-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 110536009) is 5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CN1CCc2[nH]nc(-c3ccc(OCCCc4ccccc4)cc3)c2C1.
What is the InChIKey of 5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is XFWDCMOMWHLQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O/c1-25-14-13-21-20(16-25)22(24-23-21)18-9-11-19(12-10-18)26-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,9-12H,5,8,13-16H2,1H3,(H,23,24).
What are the key properties of 5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 347.46 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[4-(3-phenylpropoxy)phenyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 110536009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).