2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol

C11H12N6O — CID 178106018

IUPAC2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol
SMILESCc1ncc2c(-c3ccn(CCO)n3)[nH]nc2n1
InChIInChI=1S/C11H12N6O/c1-7-12-6-8-10(14-15-11(8)13-7)9-2-3-17(16-9)4-5-18/h2-3,6,18H,4-5H2,1H3,(H,12,13,14,15)
InChIKeyBKMHXSLGJNFCQC-UHFFFAOYSA-N
MW244.26 g/mol
LogP0.52
Rot. Bonds3

About 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol

2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol (PubChem CID 178106018) has the molecular formula C11H12N6O and a molecular weight of 244.26 g/mol. Its IUPAC name is 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol
PubChem CID178106018
Molecular FormulaC11H12N6O
Molecular Weight244.26 g/mol
Exact Mass244.11
IUPAC Name2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol
SMILESCc1ncc2c(-c3ccn(CCO)n3)[nH]nc2n1
InChIInChI=1S/C11H12N6O/c1-7-12-6-8-10(14-15-11(8)13-7)9-2-3-17(16-9)4-5-18/h2-3,6,18H,4-5H2,1H3,(H,12,13,14,15)
InChIKeyBKMHXSLGJNFCQC-UHFFFAOYSA-N
XLogP0.52
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol (CID 178106018) is 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol is Cc1ncc2c(-c3ccn(CCO)n3)[nH]nc2n1.
What is the InChIKey of 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol?
The InChIKey is BKMHXSLGJNFCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O/c1-7-12-6-8-10(14-15-11(8)13-7)9-2-3-17(16-9)4-5-18/h2-3,6,18H,4-5H2,1H3,(H,12,13,14,15).
What are the key properties of 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol?
2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol has a molecular weight of 244.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(6-methyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl)pyrazol-1-yl]ethanol is sourced from PubChem (CID 178106018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).