sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C10H14N3NaO3 — CID 158965960

IUPACsodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC[O-].Cc1nn2c(O)cc(=O)[nH]c2c1C.[Na+]
InChIInChI=1S/C8H9N3O2.C2H5O.Na/c1-4-5(2)10-11-7(13)3-6(12)9-8(4)11;1-2-3;/h3,13H,1-2H3,(H,9,12);2H2,1H3;/q;-1;+1
InChIKeyVGQZBBFFYZTAHX-UHFFFAOYSA-N
MW247.23 g/mol
LogP-3.28
Rot. Bonds

About sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 158965960) has the molecular formula C10H14N3NaO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Namesodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID158965960
Molecular FormulaC10H14N3NaO3
Molecular Weight247.23 g/mol
Exact Mass247.09
IUPAC Namesodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCC[O-].Cc1nn2c(O)cc(=O)[nH]c2c1C.[Na+]
InChIInChI=1S/C8H9N3O2.C2H5O.Na/c1-4-5(2)10-11-7(13)3-6(12)9-8(4)11;1-2-3;/h3,13H,1-2H3,(H,9,12);2H2,1H3;/q;-1;+1
InChIKeyVGQZBBFFYZTAHX-UHFFFAOYSA-N
XLogP-3.28
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 5-3.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-hydroxy-5-oxo-3-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 162686047
7-ethyl-3-iodo-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004252
3-iodo-2-methyl-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137004272
1-ethyl-7-hydroxy-3-methyl-4H-pyrazolo[4,5-b]pyridin-5-one
CID 140830751
7-hydroxy-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135743546
ethyl 4-ethyl-2-oxo-1H-imidazo[1,5-a]pyrimidine-8-carboxylate
CID 131987884
N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137018316
4-(chloromethyl)-3-methyl-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135562164
propyl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018414
1-(4-ethylphenyl)-3,4-dimethyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135686640
3-(3,4-dichlorophenyl)-7-(2-hydroxy-4-methylphenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 159646342
ethyl 2-[3-methyl-6-oxo-4-(1,1,2,2,2-pentafluoroethyl)-7H-pyrazolo[5,4-b]pyridin-1-yl]acetate
CID 135562153

Frequently Asked Questions

What is the IUPAC name of sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 158965960) is sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CC[O-].Cc1nn2c(O)cc(=O)[nH]c2c1C.[Na+].
What is the InChIKey of sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is VGQZBBFFYZTAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2.C2H5O.Na/c1-4-5(2)10-11-7(13)3-6(12)9-8(4)11;1-2-3;/h3,13H,1-2H3,(H,9,12);2H2,1H3;/q;-1;+1.
What are the key properties of sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 247.23 g/mol, XLogP of -3.28, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethanolate;7-hydroxy-2,3-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 158965960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).