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

C13H16N4O3S — CID 91769638

IUPAC[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1nc(C)c(C(=O)N2CCn3nc(CO)cc3C2)s1
InChIInChI=1S/C13H16N4O3S/c1-8-11(21-13(14-8)20-2)12(19)16-3-4-17-10(6-16)5-9(7-18)15-17/h5,18H,3-4,6-7H2,1-2H3
InChIKeyTWMPNLPETXMODW-UHFFFAOYSA-N
MW308.36 g/mol
LogP0.80
Rot. Bonds3

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

[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone (PubChem CID 91769638) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
PubChem CID91769638
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Name[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone
SMILESCOc1nc(C)c(C(=O)N2CCn3nc(CO)cc3C2)s1
InChIInChI=1S/C13H16N4O3S/c1-8-11(21-13(14-8)20-2)12(19)16-3-4-17-10(6-16)5-9(7-18)15-17/h5,18H,3-4,6-7H2,1-2H3
InChIKeyTWMPNLPETXMODW-UHFFFAOYSA-N
XLogP0.80
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone (CID 91769638) is [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-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]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone is COc1nc(C)c(C(=O)N2CCn3nc(CO)cc3C2)s1.
What is the InChIKey of [2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
The InChIKey is TWMPNLPETXMODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-8-11(21-13(14-8)20-2)12(19)16-3-4-17-10(6-16)5-9(7-18)15-17/h5,18H,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]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone?
[2-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone has a molecular weight of 308.36 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 7 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]-(2-methoxy-4-methyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 91769638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).