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

C18H16ClF2N3 — CID 45265710

IUPAC1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2nn(-c3ccc(F)cc3)c3c2CNCC3)cc1
InChIInChI=1S/C18H15F2N3.ClH/c19-13-3-1-12(2-4-13)18-16-11-21-10-9-17(16)23(22-18)15-7-5-14(20)6-8-15;/h1-8,21H,9-11H2;1H
InChIKeyQSRBBZOELQMQFJ-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.88
Rot. Bonds2

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

1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 45265710) has the molecular formula C18H16ClF2N3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID45265710
Molecular FormulaC18H16ClF2N3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride
SMILESCl.Fc1ccc(-c2nn(-c3ccc(F)cc3)c3c2CNCC3)cc1
InChIInChI=1S/C18H15F2N3.ClH/c19-13-3-1-12(2-4-13)18-16-11-21-10-9-17(16)23(22-18)15-7-5-14(20)6-8-15;/h1-8,21H,9-11H2;1H
InChIKeyQSRBBZOELQMQFJ-UHFFFAOYSA-N
XLogP3.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride (CID 45265710) is 1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is Cl.Fc1ccc(-c2nn(-c3ccc(F)cc3)c3c2CNCC3)cc1.
What is the InChIKey of 1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is QSRBBZOELQMQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3.ClH/c19-13-3-1-12(2-4-13)18-16-11-21-10-9-17(16)23(22-18)15-7-5-14(20)6-8-15;/h1-8,21H,9-11H2;1H.
What are the key properties of 1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride?
1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 347.80 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 45265710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).