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

C22H25ClFN3 — CID 45265725

IUPAC3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCN1CCc2c(c(-c3ccc(F)cc3)nn2CCCc2ccccc2)C1.Cl
InChIInChI=1S/C22H24FN3.ClH/c1-25-15-13-21-20(16-25)22(18-9-11-19(23)12-10-18)24-26(21)14-5-8-17-6-3-2-4-7-17;/h2-4,6-7,9-12H,5,8,13-16H2,1H3;1H
InChIKeyOSZNHPRSDYDCII-UHFFFAOYSA-N
MW385.91 g/mol
LogP4.73
Rot. Bonds5

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

3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride (PubChem CID 45265725) has the molecular formula C22H25ClFN3 and a molecular weight of 385.91 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
PubChem CID45265725
Molecular FormulaC22H25ClFN3
Molecular Weight385.91 g/mol
Exact Mass385.17
IUPAC Name3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
SMILESCN1CCc2c(c(-c3ccc(F)cc3)nn2CCCc2ccccc2)C1.Cl
InChIInChI=1S/C22H24FN3.ClH/c1-25-15-13-21-20(16-25)22(18-9-11-19(23)12-10-18)24-26(21)14-5-8-17-6-3-2-4-7-17;/h2-4,6-7,9-12H,5,8,13-16H2,1H3;1H
InChIKeyOSZNHPRSDYDCII-UHFFFAOYSA-N
XLogP4.73
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 54.73
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-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride (CID 45265725) is 3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride is CN1CCc2c(c(-c3ccc(F)cc3)nn2CCCc2ccccc2)C1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
The InChIKey is OSZNHPRSDYDCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3.ClH/c1-25-15-13-21-20(16-25)22(18-9-11-19(23)12-10-18)24-26(21)14-5-8-17-6-3-2-4-7-17;/h2-4,6-7,9-12H,5,8,13-16H2,1H3;1H.
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride?
3-(4-fluorophenyl)-5-methyl-1-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride has a molecular weight of 385.91 g/mol, XLogP of 4.73, 5 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-(3-phenylpropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride is sourced from PubChem (CID 45265725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).