(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

C15H16N4O2 — CID 136540380

IUPAC(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESO=C(c1cnn2ccncc12)N1CC2CC3CC2C1C3O
InChIInChI=1S/C15H16N4O2/c20-14-8-3-9-7-18(13(14)10(9)4-8)15(21)11-5-17-19-2-1-16-6-12(11)19/h1-2,5-6,8-10,13-14,20H,3-4,7H2
InChIKeyBWJKFXVWYUQJES-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.57
Rot. Bonds1

About (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone

(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (PubChem CID 136540380) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.

Molecular Properties

Compound Name(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
PubChem CID136540380
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
SMILESO=C(c1cnn2ccncc12)N1CC2CC3CC2C1C3O
InChIInChI=1S/C15H16N4O2/c20-14-8-3-9-7-18(13(14)10(9)4-8)15(21)11-5-17-19-2-1-16-6-12(11)19/h1-2,5-6,8-10,13-14,20H,3-4,7H2
InChIKeyBWJKFXVWYUQJES-UHFFFAOYSA-N
XLogP0.57
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
pyrazolo[1,5-a]pyrazin-3-yl(pyrrolidin-1-yl)methanone
CID 103120002
(3-hydroxy-4-methylpiperidin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120388
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
(2,5-diethylpiperazin-1-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120832
[2-(2-hydroxypropyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103120401
[2-(bromomethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103122459
[2-(2-bromoethyl)piperidin-1-yl]-pyrazolo[1,5-a]pyrazin-3-ylmethanone
CID 103122477
N'-hydroxy-1-(pyrazolo[1,5-a]pyrazine-3-carbonyl)piperidine-2-carboximidamide
CID 103121544
N-[5-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonane-4-carbonyl)-3-pyridinyl]propanamide
CID 154867896
(3S)-3-ethyl-4-(pyrazolo[1,5-a]pyrazine-3-carbonyl)-1,4-diazepan-2-one
CID 138024647

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The IUPAC name of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone (CID 136540380) is (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone.
What is the SMILES notation for (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The canonical SMILES for (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is O=C(c1cnn2ccncc12)N1CC2CC3CC2C1C3O.
What is the InChIKey of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
The InChIKey is BWJKFXVWYUQJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c20-14-8-3-9-7-18(13(14)10(9)4-8)15(21)11-5-17-19-2-1-16-6-12(11)19/h1-2,5-6,8-10,13-14,20H,3-4,7H2.
What are the key properties of (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone?
(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone has a molecular weight of 284.32 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 (2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethanone is sourced from PubChem (CID 136540380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).