1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone

C21H20FN3O — CID 31016341

IUPAC1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1
InChIInChI=1S/C21H20FN3O/c1-14(26)16-5-2-4-15(10-16)12-25-9-8-20-19(13-25)21(24-23-20)17-6-3-7-18(22)11-17/h2-7,10-11H,8-9,12-13H2,1H3,(H,23,24)
InChIKeyLQEOVCQWDQXINA-UHFFFAOYSA-N
MW349.41 g/mol
LogP3.98
Rot. Bonds4

About 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone

1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone (PubChem CID 31016341) has the molecular formula C21H20FN3O and a molecular weight of 349.41 g/mol. Its IUPAC name is 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
PubChem CID31016341
Molecular FormulaC21H20FN3O
Molecular Weight349.41 g/mol
Exact Mass349.16
IUPAC Name1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone
SMILESCC(=O)c1cccc(CN2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1
InChIInChI=1S/C21H20FN3O/c1-14(26)16-5-2-4-15(10-16)12-25-9-8-20-19(13-25)21(24-23-20)17-6-3-7-18(22)11-17/h2-7,10-11H,8-9,12-13H2,1H3,(H,23,24)
InChIKeyLQEOVCQWDQXINA-UHFFFAOYSA-N
XLogP3.98
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone with MolForge

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Related Compounds

5-benzyl-3-(3-propan-2-yloxyphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110536008
3-(3-methoxyphenyl)-5-(pyridin-3-ylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 29259331
6-[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-N-propylpyridine-3-carboxamide
CID 56749115
N-[4-[[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]acetamide
CID 42517587
5-(1,3-benzodioxol-5-ylmethyl)-3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 16668262
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 126769513
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
5-ethyl-3-(3-nitrophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 110539744
N-[2-[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethyl]benzamide
CID 56753411
4-[[3-(3,4-difluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 56759112
5-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylic acid
CID 154565607
2-[3-(4-phenylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]acetamide
CID 56745125

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone?
The IUPAC name of 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone (CID 31016341) is 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone is CC(=O)c1cccc(CN2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1.
What is the InChIKey of 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone?
The InChIKey is LQEOVCQWDQXINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O/c1-14(26)16-5-2-4-15(10-16)12-25-9-8-20-19(13-25)21(24-23-20)17-6-3-7-18(22)11-17/h2-7,10-11H,8-9,12-13H2,1H3,(H,23,24).
What are the key properties of 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone?
1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone has a molecular weight of 349.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(3-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methyl]phenyl]ethanone is sourced from PubChem (CID 31016341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).