3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride

C13H15Cl2N3 — CID 45265722

IUPAC3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Cn1nc(-c2ccc(Cl)cc2)c2c1CCNC2
InChIInChI=1S/C13H14ClN3.ClH/c1-17-12-6-7-15-8-11(12)13(16-17)9-2-4-10(14)5-3-9;/h2-5,15H,6-8H2,1H3;1H
InChIKeyXSIUVYOOCBJRLK-UHFFFAOYSA-N
MW284.19 g/mol
LogP2.81
Rot. Bonds1

About 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride

3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 45265722) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID45265722
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Cn1nc(-c2ccc(Cl)cc2)c2c1CCNC2
InChIInChI=1S/C13H14ClN3.ClH/c1-17-12-6-7-15-8-11(12)13(16-17)9-2-4-10(14)5-3-9;/h2-5,15H,6-8H2,1H3;1H
InChIKeyXSIUVYOOCBJRLK-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride 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 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (CID 45265722) is 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is Cl.Cn1nc(-c2ccc(Cl)cc2)c2c1CCNC2.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is XSIUVYOOCBJRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3.ClH/c1-17-12-6-7-15-8-11(12)13(16-17)9-2-4-10(14)5-3-9;/h2-5,15H,6-8H2,1H3;1H.
What are the key properties of 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 284.19 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 45265722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).