[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone

C22H22FN3O2 — CID 67968111

IUPAC[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21
InChIInChI=1S/C22H22FN3O2/c1-22(2)15-25(21(27)16-8-10-17(23)11-9-16)13-19-12-18(24-26(19)22)14-28-20-6-4-3-5-7-20/h3-12H,13-15H2,1-2H3
InChIKeySTMDBOXTMRTNMA-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.99
Rot. Bonds4

About [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone

[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone (PubChem CID 67968111) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone
PubChem CID67968111
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21
InChIInChI=1S/C22H22FN3O2/c1-22(2)15-25(21(27)16-8-10-17(23)11-9-16)13-19-12-18(24-26(19)22)14-28-20-6-4-3-5-7-20/h3-12H,13-15H2,1-2H3
InChIKeySTMDBOXTMRTNMA-UHFFFAOYSA-N
XLogP3.99
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone (CID 67968111) is [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone is CC1(C)CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21.
What is the InChIKey of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone?
The InChIKey is STMDBOXTMRTNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-22(2)15-25(21(27)16-8-10-17(23)11-9-16)13-19-12-18(24-26(19)22)14-28-20-6-4-3-5-7-20/h3-12H,13-15H2,1-2H3.
What are the key properties of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone?
[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone has a molecular weight of 379.44 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 67968111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).