3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

C20H20FN3 — CID 82587747

IUPAC3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1cccc(-c2nn(CCc3ccccc3)c3c2CNCC3)c1
InChIInChI=1S/C20H20FN3/c21-17-8-4-7-16(13-17)20-18-14-22-11-9-19(18)24(23-20)12-10-15-5-2-1-3-6-15/h1-8,13,22H,9-12,14H2
InChIKeyDOWBZSKYHMKKKY-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.58
Rot. Bonds4

About 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine

3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 82587747) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID82587747
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESFc1cccc(-c2nn(CCc3ccccc3)c3c2CNCC3)c1
InChIInChI=1S/C20H20FN3/c21-17-8-4-7-16(13-17)20-18-14-22-11-9-19(18)24(23-20)12-10-15-5-2-1-3-6-15/h1-8,13,22H,9-12,14H2
InChIKeyDOWBZSKYHMKKKY-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-difluorophenyl)-3-(3-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587765
3-(4-chlorophenyl)-1-(2-phenylethyl)-5,6,7,8-tetrahydro-4H-pyrazolo[4,5-d]azepine
CID 59752588
3-cyclohexyl-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587563
3-[1-[(2,4-difluorophenyl)methyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]benzonitrile;hydrochloride
CID 131733416
2-[3-(3,5-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]acetonitrile
CID 82588472
3-[3-(3-methoxyphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propanenitrile
CID 82587904
3-[3-(3,4-difluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 82588051
3-(1-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl)phenol
CID 84647281
3-(4-fluorophenyl)-1-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 82587820
5-[5-(3-fluorophenyl)-2-(2-phenylethyl)-1,2,4-triazol-3-yl]pyrrolidin-2-one
CID 131906363
N,N-dimethyl-3-[3-(3-nitrophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]propan-1-amine
CID 82588229
2-[3-(3,5-dichlorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-yl]ethanol
CID 82588522

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 82587747) is 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is Fc1cccc(-c2nn(CCc3ccccc3)c3c2CNCC3)c1.
What is the InChIKey of 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is DOWBZSKYHMKKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c21-17-8-4-7-16(13-17)20-18-14-22-11-9-19(18)24(23-20)12-10-15-5-2-1-3-6-15/h1-8,13,22H,9-12,14H2.
What are the key properties of 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine?
3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 321.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-1-(2-phenylethyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 82587747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).