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

C21H23ClFN3 — CID 45263098

IUPAC3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCC(c1ccccc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C)C2.Cl
InChIInChI=1S/C21H22FN3.ClH/c1-15(16-6-4-3-5-7-16)25-20-12-13-24(2)14-19(20)21(23-25)17-8-10-18(22)11-9-17;/h3-11,15H,12-14H2,1-2H3;1H
InChIKeyKYXOSKDIVJCILL-UHFFFAOYSA-N
MW371.89 g/mol
LogP4.71
Rot. Bonds3

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

3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 45263098) has the molecular formula C21H23ClFN3 and a molecular weight of 371.89 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID45263098
Molecular FormulaC21H23ClFN3
Molecular Weight371.89 g/mol
Exact Mass371.16
IUPAC Name3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCC(c1ccccc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C)C2.Cl
InChIInChI=1S/C21H22FN3.ClH/c1-15(16-6-4-3-5-7-16)25-20-12-13-24(2)14-19(20)21(23-25)17-8-10-18(22)11-9-17;/h3-11,15H,12-14H2,1-2H3;1H
InChIKeyKYXOSKDIVJCILL-UHFFFAOYSA-N
XLogP4.71
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride (CID 45263098) is 3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride is CC(c1ccccc1)n1nc(-c2ccc(F)cc2)c2c1CCN(C)C2.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is KYXOSKDIVJCILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3.ClH/c1-15(16-6-4-3-5-7-16)25-20-12-13-24(2)14-19(20)21(23-25)17-8-10-18(22)11-9-17;/h3-11,15H,12-14H2,1-2H3;1H.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 371.89 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 45263098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).