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

C20H22FN3O3S — CID 76850829

IUPAC3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
SMILESCN1CCc2c(c(-c3ccc(F)cc3)nn2-c2ccccc2)C1.CS(=O)(=O)O
InChIInChI=1S/C19H18FN3.CH4O3S/c1-22-12-11-18-17(13-22)19(14-7-9-15(20)10-8-14)21-23(18)16-5-3-2-4-6-16;1-5(2,3)4/h2-10H,11-13H2,1H3;1H3,(H,2,3,4)
InChIKeyYBWPTMQFHMZZJT-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.17
Rot. Bonds2

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

3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid (PubChem CID 76850829) has the molecular formula C20H22FN3O3S and a molecular weight of 403.48 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
PubChem CID76850829
Molecular FormulaC20H22FN3O3S
Molecular Weight403.48 g/mol
Exact Mass403.14
IUPAC Name3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid
SMILESCN1CCc2c(c(-c3ccc(F)cc3)nn2-c2ccccc2)C1.CS(=O)(=O)O
InChIInChI=1S/C19H18FN3.CH4O3S/c1-22-12-11-18-17(13-22)19(14-7-9-15(20)10-8-14)21-23(18)16-5-3-2-4-6-16;1-5(2,3)4/h2-10H,11-13H2,1H3;1H3,(H,2,3,4)
InChIKeyYBWPTMQFHMZZJT-UHFFFAOYSA-N
XLogP3.17
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-4-[3-(4-fluorophenyl)-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]butan-1-one
CID 70447563
1-(4-fluorophenyl)-5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 162534609
1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylic acid
CID 121435120
1-(4-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carbonitrile
CID 82586279
methyl 3-(5-methyl-3-pyridin-4-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110458892
3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 57221359
4-[1-(2,6-difluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]aniline
CID 110458909
[3-(4-fluorophenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-phenylmethanone
CID 70450021
tert-butyl 1,3-diphenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 58417776
4-(5-methyl-1-pyridin-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)aniline
CID 82586033
1-[1-benzyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 76850843
methyl 2-(5-methyl-3-pyridin-3-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl)benzoate
CID 110458889

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid?
The IUPAC name of 3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid (CID 76850829) is 3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid?
The canonical SMILES for 3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid is CN1CCc2c(c(-c3ccc(F)cc3)nn2-c2ccccc2)C1.CS(=O)(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid?
The InChIKey is YBWPTMQFHMZZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3.CH4O3S/c1-22-12-11-18-17(13-22)19(14-7-9-15(20)10-8-14)21-23(18)16-5-3-2-4-6-16;1-5(2,3)4/h2-10H,11-13H2,1H3;1H3,(H,2,3,4).
What are the key properties of 3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid?
3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid has a molecular weight of 403.48 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-5-methyl-1-phenyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methanesulfonic acid is sourced from PubChem (CID 76850829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).