7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one

C10H13N3O — CID 136869083

IUPAC7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1c(C)c(=O)[nH]c2c(C)cnn12
InChIInChI=1S/C10H13N3O/c1-4-8-7(3)10(14)12-9-6(2)5-11-13(8)9/h5H,4H2,1-3H3,(H,12,14)
InChIKeyRPRKFEYLHIHLRF-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.20
Rot. Bonds1

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

7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 136869083) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID136869083
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCCc1c(C)c(=O)[nH]c2c(C)cnn12
InChIInChI=1S/C10H13N3O/c1-4-8-7(3)10(14)12-9-6(2)5-11-13(8)9/h5H,4H2,1-3H3,(H,12,14)
InChIKeyRPRKFEYLHIHLRF-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 7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 136869083) is 7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is CCc1c(C)c(=O)[nH]c2c(C)cnn12.
What is the InChIKey of 7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is RPRKFEYLHIHLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-4-8-7(3)10(14)12-9-6(2)5-11-13(8)9/h5H,4H2,1-3H3,(H,12,14).
What are the key properties of 7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-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 7-ethyl-3,6-dimethyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 136869083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).