3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one

C23H22F3N3O3 — CID 123783552

IUPAC3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
SMILESCOC(C(=O)N1CCn2nc(OCc3ccccc3)cc2C1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H22F3N3O3/c1-31-22(23(24,25)26,18-10-6-3-7-11-18)21(30)28-12-13-29-19(15-28)14-20(27-29)32-16-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16H2,1H3
InChIKeyQMEDAAMNNOVLKZ-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.91
Rot. Bonds6

About 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one

3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one (PubChem CID 123783552) has the molecular formula C23H22F3N3O3 and a molecular weight of 445.44 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
PubChem CID123783552
Molecular FormulaC23H22F3N3O3
Molecular Weight445.44 g/mol
Exact Mass445.16
IUPAC Name3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
SMILESCOC(C(=O)N1CCn2nc(OCc3ccccc3)cc2C1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C23H22F3N3O3/c1-31-22(23(24,25)26,18-10-6-3-7-11-18)21(30)28-12-13-29-19(15-28)14-20(27-29)32-16-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16H2,1H3
InChIKeyQMEDAAMNNOVLKZ-UHFFFAOYSA-N
XLogP3.91
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(benzyloxy)-5-(4-fluorophenyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 72714783
(R)-2-((R)-1-ethyl-3-methyl-4-(p-tolyloxymethyl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)-N-methyl-2-phenylacetamide
CID 46880450
2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylethanone
CID 127047643
2-[5-Fluoro-1-(2-fluorophenyl)indazol-3-yl]oxy-1-morpholin-4-ylpropan-1-one
CID 127047644
(3-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387629
5-(2-Fluorobenzoyl)-4,5,6,7-tetrahydro-2-(phenoxymethyl)-pyrazolo[1,5-a]pyrazine
CID 57387630
(3,5-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387631
(3,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387632
(2,3-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387856
(2,6-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387857
(2,4-difluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387858
5-(4-Fluorobenzoyl)-4,5,6,7-tetrahydro-2-(phenoxymethyl)-pyrazolo[1,5-a]pyrazine
CID 67958363

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one (CID 123783552) is 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one is COC(C(=O)N1CCn2nc(OCc3ccccc3)cc2C1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
The InChIKey is QMEDAAMNNOVLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O3/c1-31-22(23(24,25)26,18-10-6-3-7-11-18)21(30)28-12-13-29-19(15-28)14-20(27-29)32-16-17-8-4-2-5-9-17/h2-11,14H,12-13,15-16H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?
3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one has a molecular weight of 445.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one is sourced from PubChem (CID 123783552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).