ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol

C13H18N6O — CID 178106286

IUPACethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol
SMILESCC.CC(O)c1ccn(-c2ncnc3c2cnn3C)n1
InChIInChI=1S/C11H12N6O.C2H6/c1-7(18)9-3-4-17(15-9)11-8-5-14-16(2)10(8)12-6-13-11;1-2/h3-7,18H,1-2H3;1-2H3
InChIKeyRISZGAJTIHRVFU-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.63
Rot. Bonds2

About ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol

ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol (PubChem CID 178106286) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol.

Molecular Properties

Compound Nameethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol
PubChem CID178106286
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Nameethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol
SMILESCC.CC(O)c1ccn(-c2ncnc3c2cnn3C)n1
InChIInChI=1S/C11H12N6O.C2H6/c1-7(18)9-3-4-17(15-9)11-8-5-14-16(2)10(8)12-6-13-11;1-2/h3-7,18H,1-2H3;1-2H3
InChIKeyRISZGAJTIHRVFU-UHFFFAOYSA-N
XLogP1.63
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol?
The IUPAC name of ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol (CID 178106286) is ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol.
What is the SMILES notation for ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol?
The canonical SMILES for ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol is CC.CC(O)c1ccn(-c2ncnc3c2cnn3C)n1.
What is the InChIKey of ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol?
The InChIKey is RISZGAJTIHRVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O.C2H6/c1-7(18)9-3-4-17(15-9)11-8-5-14-16(2)10(8)12-6-13-11;1-2/h3-7,18H,1-2H3;1-2H3.
What are the key properties of ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol?
ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol has a molecular weight of 274.33 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrazol-3-yl]ethanol is sourced from PubChem (CID 178106286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).