1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

C16H17F3N4O3 — CID 99973676

IUPAC1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C2
InChIInChI=1S/C16H17F3N4O3/c1-10(24)13-6-12-8-21(4-5-23(12)20-13)15(26)9-22-7-11(16(17,18)19)2-3-14(22)25/h2-3,6-7,10,24H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyXEOLUCDRKCTXDA-SNVBAGLBSA-N
MW370.33 g/mol
LogP1.16
Rot. Bonds3

About 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one

1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (PubChem CID 99973676) has the molecular formula C16H17F3N4O3 and a molecular weight of 370.33 g/mol. Its IUPAC name is 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
PubChem CID99973676
Molecular FormulaC16H17F3N4O3
Molecular Weight370.33 g/mol
Exact Mass370.13
IUPAC Name1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
SMILESC[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C2
InChIInChI=1S/C16H17F3N4O3/c1-10(24)13-6-12-8-21(4-5-23(12)20-13)15(26)9-22-7-11(16(17,18)19)2-3-14(22)25/h2-3,6-7,10,24H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyXEOLUCDRKCTXDA-SNVBAGLBSA-N
XLogP1.16
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 91797989
1-[2-(4-methyl-1,4-diazepan-1-yl)-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
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4,4,4-trifluoro-1-[2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]butan-1-one
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3-[2-[2-[(1R)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 99982099
1-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-5-(trifluoromethyl)pyridin-2-one
CID 2105680
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 99998762
3-(1,3-benzothiazol-2-yl)-1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 91789134
1-[2-[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one
CID 133115802
[3-chloro-5-(trifluoromethyl)phenyl]methyl 2-(1-hydroxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 90460564
1-[2-[2-[2-(dimethylamino)-1-hydroxyethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-oxoethyl]pyridin-2-one
CID 91788695
1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
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(1S)-1-[5-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99975614

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one (CID 99973676) is 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is C[C@@H](O)c1cc2n(n1)CCN(C(=O)Cn1cc(C(F)(F)F)ccc1=O)C2.
What is the InChIKey of 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
The InChIKey is XEOLUCDRKCTXDA-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17F3N4O3/c1-10(24)13-6-12-8-21(4-5-23(12)20-13)15(26)9-22-7-11(16(17,18)19)2-3-14(22)25/h2-3,6-7,10,24H,4-5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one?
1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one has a molecular weight of 370.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(1R)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-oxoethyl]-5-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 99973676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).