3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride

C12H15Cl2N3 — CID 67337450

IUPAC3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C12H13N3.2ClH/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12;;/h1-5,13H,6-8H2,(H,14,15);2*1H
InChIKeyJXUHXWSFQWLPOB-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.57
Rot. Bonds1

About 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride

3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride (PubChem CID 67337450) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride
PubChem CID67337450
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride
SMILESCl.Cl.c1ccc(-c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C12H13N3.2ClH/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12;;/h1-5,13H,6-8H2,(H,14,15);2*1H
InChIKeyJXUHXWSFQWLPOB-UHFFFAOYSA-N
XLogP2.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
The IUPAC name of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride (CID 67337450) is 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride.
What is the SMILES notation for 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
The canonical SMILES for 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride is Cl.Cl.c1ccc(-c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
The InChIKey is JXUHXWSFQWLPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3.2ClH/c1-2-4-9(5-3-1)12-10-8-13-7-6-11(10)14-15-12;;/h1-5,13H,6-8H2,(H,14,15);2*1H.
What are the key properties of 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride has a molecular weight of 272.18 g/mol, XLogP of 2.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride is sourced from PubChem (CID 67337450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).