2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

C16H16F3N3O2 — CID 154845337

IUPAC2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc2n(n1)CCN(C(=O)C(O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C16H16F3N3O2/c1-10-7-13-9-21(5-6-22(13)20-10)15(24)14(23)11-3-2-4-12(8-11)16(17,18)19/h2-4,7-8,14,23H,5-6,9H2,1H3
InChIKeySCKNGHAONYINFG-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.29
Rot. Bonds2

About 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone

2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (PubChem CID 154845337) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
PubChem CID154845337
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone
SMILESCc1cc2n(n1)CCN(C(=O)C(O)c1cccc(C(F)(F)F)c1)C2
InChIInChI=1S/C16H16F3N3O2/c1-10-7-13-9-21(5-6-22(13)20-10)15(24)14(23)11-3-2-4-12(8-11)16(17,18)19/h2-4,7-8,14,23H,5-6,9H2,1H3
InChIKeySCKNGHAONYINFG-UHFFFAOYSA-N
XLogP2.29
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone (CID 154845337) is 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is Cc1cc2n(n1)CCN(C(=O)C(O)c1cccc(C(F)(F)F)c1)C2.
What is the InChIKey of 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
The InChIKey is SCKNGHAONYINFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-10-7-13-9-21(5-6-22(13)20-10)15(24)14(23)11-3-2-4-12(8-11)16(17,18)19/h2-4,7-8,14,23H,5-6,9H2,1H3.
What are the key properties of 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone?
2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone has a molecular weight of 339.32 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-[3-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 154845337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).