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

C13H17Cl2N3 — CID 76850833

IUPAC3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride
SMILESCc1ccc(-c2n[nH]c3c2CNCC3)cc1.Cl.Cl
InChIInChI=1S/C13H15N3.2ClH/c1-9-2-4-10(5-3-9)13-11-8-14-7-6-12(11)15-16-13;;/h2-5,14H,6-8H2,1H3,(H,15,16);2*1H
InChIKeyNWXRFNXUMIDDLQ-UHFFFAOYSA-N
MW286.21 g/mol
LogP2.87
Rot. Bonds1

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

3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride (PubChem CID 76850833) has the molecular formula C13H17Cl2N3 and a molecular weight of 286.21 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride
PubChem CID76850833
Molecular FormulaC13H17Cl2N3
Molecular Weight286.21 g/mol
Exact Mass285.08
IUPAC Name3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride
SMILESCc1ccc(-c2n[nH]c3c2CNCC3)cc1.Cl.Cl
InChIInChI=1S/C13H15N3.2ClH/c1-9-2-4-10(5-3-9)13-11-8-14-7-6-12(11)15-16-13;;/h2-5,14H,6-8H2,1H3,(H,15,16);2*1H
InChIKeyNWXRFNXUMIDDLQ-UHFFFAOYSA-N
XLogP2.87
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
The IUPAC name of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride (CID 76850833) is 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
The canonical SMILES for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride is Cc1ccc(-c2n[nH]c3c2CNCC3)cc1.Cl.Cl.
What is the InChIKey of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
The InChIKey is NWXRFNXUMIDDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3.2ClH/c1-9-2-4-10(5-3-9)13-11-8-14-7-6-12(11)15-16-13;;/h2-5,14H,6-8H2,1H3,(H,15,16);2*1H.
What are the key properties of 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride?
3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride has a molecular weight of 286.21 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine;dihydrochloride is sourced from PubChem (CID 76850833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).