6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C10H13N3O — CID 753099

IUPAC6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C)[nH]n2c1=O
InChIInChI=1S/C10H13N3O/c1-4-8-7(3)11-9-5-6(2)12-13(9)10(8)14/h5,12H,4H2,1-3H3
InChIKeyRLHFMEUZPBFVNG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.20
Rot. Bonds1

About 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 753099) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID753099
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2cc(C)[nH]n2c1=O
InChIInChI=1S/C10H13N3O/c1-4-8-7(3)11-9-5-6(2)12-13(9)10(8)14/h5,12H,4H2,1-3H3
InChIKeyRLHFMEUZPBFVNG-UHFFFAOYSA-N
XLogP1.20
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 753099) is 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2cc(C)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is RLHFMEUZPBFVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-8-7(3)11-9-5-6(2)12-13(9)10(8)14/h5,12H,4H2,1-3H3.
What are the key properties of 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 191.23 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,5-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 753099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).