4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one

C12H18N4O2 — CID 142799181

IUPAC4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one
SMILESCC1Cn2ncc(N3CC(CO)CC3=O)c2CN1
InChIInChI=1S/C12H18N4O2/c1-8-5-16-11(3-13-8)10(4-14-16)15-6-9(7-17)2-12(15)18/h4,8-9,13,17H,2-3,5-7H2,1H3
InChIKeySUYFBICEHFZGMA-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.28
Rot. Bonds2

About 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one (PubChem CID 142799181) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one
PubChem CID142799181
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one
SMILESCC1Cn2ncc(N3CC(CO)CC3=O)c2CN1
InChIInChI=1S/C12H18N4O2/c1-8-5-16-11(3-13-8)10(4-14-16)15-6-9(7-17)2-12(15)18/h4,8-9,13,17H,2-3,5-7H2,1H3
InChIKeySUYFBICEHFZGMA-UHFFFAOYSA-N
XLogP-0.28
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]-5-oxopyrrolidine-3-carbonitrile
CID 154691076
4-(2-methyl-1,3-oxazol-5-yl)-1-[(6S)-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl]pyrrolidin-2-one
CID 122420091
(6S)-3-ethyl-6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CID 160897353
4-(hydroxymethyl)-1-(2-methylpyrimidin-5-yl)pyrrolidin-2-one
CID 168662722
1-(3,5-dimethyl-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662656
4-(hydroxymethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168662622
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(5-bromo-2-methoxy-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662455
1-(2-amino-5-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663950
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 168663775
1-(4-bromo-3-chloro-2-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662547

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one (CID 142799181) is 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one is CC1Cn2ncc(N3CC(CO)CC3=O)c2CN1.
What is the InChIKey of 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one?
The InChIKey is SUYFBICEHFZGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8-5-16-11(3-13-8)10(4-14-16)15-6-9(7-17)2-12(15)18/h4,8-9,13,17H,2-3,5-7H2,1H3.
What are the key properties of 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one has a molecular weight of 250.30 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(6-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 142799181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).