[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

C15H20N4O2S — CID 90652693

IUPAC[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCn2nc(CO)cc2C1
InChIInChI=1S/C15H20N4O2S/c1-9(2)14-16-10(3)13(22-14)15(21)18-4-5-19-12(7-18)6-11(8-20)17-19/h6,9,20H,4-5,7-8H2,1-3H3
InChIKeyCVKQISIUJYKKOA-UHFFFAOYSA-N
MW320.42 g/mol
LogP1.92
Rot. Bonds3

About [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone

[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (PubChem CID 90652693) has the molecular formula C15H20N4O2S and a molecular weight of 320.42 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
PubChem CID90652693
Molecular FormulaC15H20N4O2S
Molecular Weight320.42 g/mol
Exact Mass320.13
IUPAC Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
SMILESCc1nc(C(C)C)sc1C(=O)N1CCn2nc(CO)cc2C1
InChIInChI=1S/C15H20N4O2S/c1-9(2)14-16-10(3)13(22-14)15(21)18-4-5-19-12(7-18)6-11(8-20)17-19/h6,9,20H,4-5,7-8H2,1-3H3
InChIKeyCVKQISIUJYKKOA-UHFFFAOYSA-N
XLogP1.92
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone (CID 90652693) is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is Cc1nc(C(C)C)sc1C(=O)N1CCn2nc(CO)cc2C1.
What is the InChIKey of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
The InChIKey is CVKQISIUJYKKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2S/c1-9(2)14-16-10(3)13(22-14)15(21)18-4-5-19-12(7-18)6-11(8-20)17-19/h6,9,20H,4-5,7-8H2,1-3H3.
What are the key properties of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone?
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone has a molecular weight of 320.42 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 90652693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).