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

C13H19N3O2 — CID 119065386

IUPAC1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone
SMILESCc1cc2n(n1)CCN(C(=O)CC1CCOC1)C2
InChIInChI=1S/C13H19N3O2/c1-10-6-12-8-15(3-4-16(12)14-10)13(17)7-11-2-5-18-9-11/h6,11H,2-5,7-9H2,1H3
InChIKeyDGRHVNYOPOZXNM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.96
Rot. Bonds2

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

1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone (PubChem CID 119065386) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone
PubChem CID119065386
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone
SMILESCc1cc2n(n1)CCN(C(=O)CC1CCOC1)C2
InChIInChI=1S/C13H19N3O2/c1-10-6-12-8-15(3-4-16(12)14-10)13(17)7-11-2-5-18-9-11/h6,11H,2-5,7-9H2,1H3
InChIKeyDGRHVNYOPOZXNM-UHFFFAOYSA-N
XLogP0.96
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone with MolForge

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Related Compounds

(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(5-methylfuran-2-yl)methyl]piperazin-2-one
CID 125159069
formic acid;1-(2-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-2-(oxolan-3-yl)ethanone
CID 154909880
1-[4-(2-methoxyphenyl)piperidin-1-yl]-2-(oxolan-3-yl)ethanone
CID 119073542
(3S)-3-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-4-[(2-methylphenyl)methyl]piperazin-2-one
CID 126447440
2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-1-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)ethanone
CID 125160933
2-[(3S)-oxolan-3-yl]-1-(3-propan-2-ylpyrrolidin-1-yl)ethanone
CID 176724619
1H-indol-2-yl-[2-(oxolan-3-ylmethylamino)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 156770486
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-2-[(3R)-oxolan-3-yl]ethanone
CID 126441295
2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-1-piperazin-1-ylethanone;dihydrochloride
CID 154910440
cyclobutyl-[2-[(oxolan-3-ylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 121495858
(4R)-4-(2-methoxyphenyl)-6-methyl-5-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 95195054
1-methyl-8-[2-(oxolan-3-yl)acetyl]-1,8-diazaspiro[4.5]decan-2-one
CID 131932524

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone (CID 119065386) is 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone is Cc1cc2n(n1)CCN(C(=O)CC1CCOC1)C2.
What is the InChIKey of 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone?
The InChIKey is DGRHVNYOPOZXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-6-12-8-15(3-4-16(12)14-10)13(17)7-11-2-5-18-9-11/h6,11H,2-5,7-9H2,1H3.
What are the key properties of 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone?
1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(oxolan-3-yl)ethanone is sourced from PubChem (CID 119065386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).