1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone

C23H20FN3O — CID 162127900

IUPAC1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CC=C2)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C23H20FN3O/c24-20-8-6-18(7-9-20)21-14-25-27-11-10-26(15-22(21)27)23(28)13-16-4-5-17-2-1-3-19(17)12-16/h1-2,4-9,12,14H,3,10-11,13,15H2
InChIKeyZIGZHUXAHWNBFO-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.84
Rot. Bonds3

About 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone

1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone (PubChem CID 162127900) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone
PubChem CID162127900
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CC=C2)N1CCn2ncc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C23H20FN3O/c24-20-8-6-18(7-9-20)21-14-25-27-11-10-26(15-22(21)27)23(28)13-16-4-5-17-2-1-3-19(17)12-16/h1-2,4-9,12,14H,3,10-11,13,15H2
InChIKeyZIGZHUXAHWNBFO-UHFFFAOYSA-N
XLogP3.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone (CID 162127900) is 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone is O=C(Cc1ccc2c(c1)CC=C2)N1CCn2ncc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone?
The InChIKey is ZIGZHUXAHWNBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-20-8-6-18(7-9-20)21-14-25-27-11-10-26(15-22(21)27)23(28)13-16-4-5-17-2-1-3-19(17)12-16/h1-2,4-9,12,14H,3,10-11,13,15H2.
What are the key properties of 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone?
1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone has a molecular weight of 373.43 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-(3H-inden-5-yl)ethanone is sourced from PubChem (CID 162127900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).