2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C10H13N3O — CID 135627012

IUPAC2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C)c(C)c(=O)[nH]c2c1C
InChIInChI=1S/C10H13N3O/c1-5-7(3)12-13-8(4)6(2)10(14)11-9(5)13/h1-4H3,(H,11,14)
InChIKeyLJSSOFZOQPRGNV-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.26
Rot. Bonds

About 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 135627012) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID135627012
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1nn2c(C)c(C)c(=O)[nH]c2c1C
InChIInChI=1S/C10H13N3O/c1-5-7(3)12-13-8(4)6(2)10(14)11-9(5)13/h1-4H3,(H,11,14)
InChIKeyLJSSOFZOQPRGNV-UHFFFAOYSA-N
XLogP1.26
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
2,7-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135420556
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 136027792
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)acetamide
CID 135752887
2-Ethyl-3,7-dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135456526
(E)-N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)but-2-enamide
CID 135551484
3-(fluoromethyl)-1,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 178026719
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135551466
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)propionamide
CID 135551467
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)pivalamide
CID 135752892

Frequently Asked Questions

What is the IUPAC name of 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 135627012) is 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1nn2c(C)c(C)c(=O)[nH]c2c1C.
What is the InChIKey of 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is LJSSOFZOQPRGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-5-7(3)12-13-8(4)6(2)10(14)11-9(5)13/h1-4H3,(H,11,14).
What are the key properties of 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 191.23 g/mol, XLogP of 1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6,7-tetramethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 135627012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).