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

C19H19ClFN3 — CID 45263015

IUPAC1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2nn(Cc3ccccc3)c3c2CNCC3)cc1
InChIInChI=1S/C19H18FN3.ClH/c20-16-8-6-15(7-9-16)19-17-12-21-11-10-18(17)23(22-19)13-14-4-2-1-3-5-14;/h1-9,21H,10-13H2;1H
InChIKeyWAJHAFRUEYKSLL-UHFFFAOYSA-N
MW343.83 g/mol
LogP3.81
Rot. Bonds3

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

1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 45263015) has the molecular formula C19H19ClFN3 and a molecular weight of 343.83 g/mol. Its IUPAC name is 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID45263015
Molecular FormulaC19H19ClFN3
Molecular Weight343.83 g/mol
Exact Mass343.13
IUPAC Name1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2nn(Cc3ccccc3)c3c2CNCC3)cc1
InChIInChI=1S/C19H18FN3.ClH/c20-16-8-6-15(7-9-16)19-17-12-21-11-10-18(17)23(22-19)13-14-4-2-1-3-5-14;/h1-9,21H,10-13H2;1H
InChIKeyWAJHAFRUEYKSLL-UHFFFAOYSA-N
XLogP3.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.83
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (CID 45263015) is 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is Cl.Fc1ccc(-c2nn(Cc3ccccc3)c3c2CNCC3)cc1.
What is the InChIKey of 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is WAJHAFRUEYKSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3.ClH/c20-16-8-6-15(7-9-16)19-17-12-21-11-10-18(17)23(22-19)13-14-4-2-1-3-5-14;/h1-9,21H,10-13H2;1H.
What are the key properties of 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 343.83 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 45263015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).