[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone

C19H22N6O2 — CID 91780160

IUPAC[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)c1cnn(-c3ccccn3)c1C)C2
InChIInChI=1S/C19H22N6O2/c1-3-17(26)16-10-14-12-23(8-9-24(14)22-16)19(27)15-11-21-25(13(15)2)18-6-4-5-7-20-18/h4-7,10-11,17,26H,3,8-9,12H2,1-2H3
InChIKeyIMMCUQNWLGFAJO-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.87
Rot. Bonds4

About [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone

[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 91780160) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID91780160
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCCC(O)c1cc2n(n1)CCN(C(=O)c1cnn(-c3ccccn3)c1C)C2
InChIInChI=1S/C19H22N6O2/c1-3-17(26)16-10-14-12-23(8-9-24(14)22-16)19(27)15-11-21-25(13(15)2)18-6-4-5-7-20-18/h4-7,10-11,17,26H,3,8-9,12H2,1-2H3
InChIKeyIMMCUQNWLGFAJO-UHFFFAOYSA-N
XLogP1.87
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone (CID 91780160) is [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone is CCC(O)c1cc2n(n1)CCN(C(=O)c1cnn(-c3ccccn3)c1C)C2.
What is the InChIKey of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is IMMCUQNWLGFAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-3-17(26)16-10-14-12-23(8-9-24(14)22-16)19(27)15-11-21-25(13(15)2)18-6-4-5-7-20-18/h4-7,10-11,17,26H,3,8-9,12H2,1-2H3.
What are the key properties of [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone?
[2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 366.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxypropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(5-methyl-1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 91780160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).