1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride

C23H27ClFN3 — CID 45263126

IUPAC1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCCCCN1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccccc2)C1.Cl
InChIInChI=1S/C23H26FN3.ClH/c1-2-3-14-26-15-13-22-21(17-26)23(19-9-11-20(24)12-10-19)25-27(22)16-18-7-5-4-6-8-18;/h4-12H,2-3,13-17H2,1H3;1H
InChIKeyATLPSFLHINRNPW-UHFFFAOYSA-N
MW399.94 g/mol
LogP5.32
Rot. Bonds6

About 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride

1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 45263126) has the molecular formula C23H27ClFN3 and a molecular weight of 399.94 g/mol. Its IUPAC name is 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID45263126
Molecular FormulaC23H27ClFN3
Molecular Weight399.94 g/mol
Exact Mass399.19
IUPAC Name1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCCCCN1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccccc2)C1.Cl
InChIInChI=1S/C23H26FN3.ClH/c1-2-3-14-26-15-13-22-21(17-26)23(19-9-11-20(24)12-10-19)25-27(22)16-18-7-5-4-6-8-18;/h4-12H,2-3,13-17H2,1H3;1H
InChIKeyATLPSFLHINRNPW-UHFFFAOYSA-N
XLogP5.32
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.94
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride (CID 45263126) is 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride is CCCCN1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccccc2)C1.Cl.
What is the InChIKey of 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is ATLPSFLHINRNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3.ClH/c1-2-3-14-26-15-13-22-21(17-26)23(19-9-11-20(24)12-10-19)25-27(22)16-18-7-5-4-6-8-18;/h4-12H,2-3,13-17H2,1H3;1H.
What are the key properties of 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 399.94 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 45263126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).