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

C14H18N4O2S — CID 91775884

IUPAC[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCC(C)c1csc(C(=O)N2CCn3nc(CO)cc3C2)n1
InChIInChI=1S/C14H18N4O2S/c1-9(2)12-8-21-13(15-12)14(20)17-3-4-18-11(6-17)5-10(7-19)16-18/h5,8-9,19H,3-4,6-7H2,1-2H3
InChIKeyUOIMZYZCGDWGTB-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.61
Rot. Bonds3

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

[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (PubChem CID 91775884) has the molecular formula C14H18N4O2S and a molecular weight of 306.39 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
PubChem CID91775884
Molecular FormulaC14H18N4O2S
Molecular Weight306.39 g/mol
Exact Mass306.12
IUPAC Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCC(C)c1csc(C(=O)N2CCn3nc(CO)cc3C2)n1
InChIInChI=1S/C14H18N4O2S/c1-9(2)12-8-21-13(15-12)14(20)17-3-4-18-11(6-17)5-10(7-19)16-18/h5,8-9,19H,3-4,6-7H2,1-2H3
InChIKeyUOIMZYZCGDWGTB-UHFFFAOYSA-N
XLogP1.61
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-propan-2-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone (CID 91775884) is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone is CC(C)c1csc(C(=O)N2CCn3nc(CO)cc3C2)n1.
What is the InChIKey of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is UOIMZYZCGDWGTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2S/c1-9(2)12-8-21-13(15-12)14(20)17-3-4-18-11(6-17)5-10(7-19)16-18/h5,8-9,19H,3-4,6-7H2,1-2H3.
What are the key properties of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone?
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-propan-2-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 306.39 g/mol, XLogP of 1.61, 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-propan-2-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 91775884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).