7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C9H11N3O3 — CID 135979332

IUPAC7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cnn2c(O)c(CCO)c(=O)[nH]c12
InChIInChI=1S/C9H11N3O3/c1-5-4-10-12-7(5)11-8(14)6(2-3-13)9(12)15/h4,13,15H,2-3H2,1H3,(H,11,14)
InChIKeyFRMQJGINCFWAQX-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.43
Rot. Bonds2

About 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135979332) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135979332
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cnn2c(O)c(CCO)c(=O)[nH]c12
InChIInChI=1S/C9H11N3O3/c1-5-4-10-12-7(5)11-8(14)6(2-3-13)9(12)15/h4,13,15H,2-3H2,1H3,(H,11,14)
InChIKeyFRMQJGINCFWAQX-UHFFFAOYSA-N
XLogP-0.43
TPSA90.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135979332) is 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1cnn2c(O)c(CCO)c(=O)[nH]c12.
What is the InChIKey of 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is FRMQJGINCFWAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5-4-10-12-7(5)11-8(14)6(2-3-13)9(12)15/h4,13,15H,2-3H2,1H3,(H,11,14).
What are the key properties of 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 209.20 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(2-hydroxyethyl)-3-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135979332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).