(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

C13H16N4O2 — CID 103120388

IUPAC(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCC1CCN(C(=O)c2cnn3ccncc23)CC1O
InChIInChI=1S/C13H16N4O2/c1-9-2-4-16(8-12(9)18)13(19)10-6-15-17-5-3-14-7-11(10)17/h3,5-7,9,12,18H,2,4,8H2,1H3
InChIKeyYIENIRQFBBSMKI-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.57
Rot. Bonds1

About (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (PubChem CID 103120388) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
PubChem CID103120388
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESCC1CCN(C(=O)c2cnn3ccncc23)CC1O
InChIInChI=1S/C13H16N4O2/c1-9-2-4-16(8-12(9)18)13(19)10-6-15-17-5-3-14-7-11(10)17/h3,5-7,9,12,18H,2,4,8H2,1H3
InChIKeyYIENIRQFBBSMKI-UHFFFAOYSA-N
XLogP0.57
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
[4-(1-aminoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120736
2-[1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidin-3-yl]acetic acid
CID 103116719
2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103120918
1,4-diazepan-1-yl(pyrazolo[1,5-a]pyrazin-3-yl)methanone
CID 103115712
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
(4-amino-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103121075
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
3-methyl-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-3-carboxylic acid
CID 103116765
N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide
CID 103121544
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 136540380
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The IUPAC name of (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (CID 103120388) is (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.
What is the SMILES notation for (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The canonical SMILES for (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is CC1CCN(C(=O)c2cnn3ccncc23)CC1O.
What is the InChIKey of (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The InChIKey is YIENIRQFBBSMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-2-4-16(8-12(9)18)13(19)10-6-15-17-5-3-14-7-11(10)17/h3,5-7,9,12,18H,2,4,8H2,1H3.
What are the key properties of (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone has a molecular weight of 260.30 g/mol, XLogP of 0.57, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 103120388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).