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

C10H13N3O — CID 18721912

IUPAC2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C)c(C)[nH]n2c(=O)c1C
InChIInChI=1S/C10H13N3O/c1-5-8(4)12-13-9(5)11-7(3)6(2)10(13)14/h12H,1-4H3
InChIKeyGSUPWZAPESMHQL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.26
Rot. Bonds

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

2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 18721912) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID18721912
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(C)c(C)[nH]n2c(=O)c1C
InChIInChI=1S/C10H13N3O/c1-5-8(4)12-13-9(5)11-7(3)6(2)10(13)14/h12H,1-4H3
InChIKeyGSUPWZAPESMHQL-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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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 18721912) is 2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(C)c(C)[nH]n2c(=O)c1C.
What is the InChIKey of 2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GSUPWZAPESMHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-5-8(4)12-13-9(5)11-7(3)6(2)10(13)14/h12H,1-4H3.
What are the key properties of 2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-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 2,3,5,6-tetramethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 18721912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).