5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H13N3O — CID 10514153

IUPAC5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1
InChIInChI=1S/C14H13N3O/c1-2-11-8-13(18)17-14(16-11)12(9-15-17)10-6-4-3-5-7-10/h3-9,15H,2H2,1H3
InChIKeyCSLWDDCOWKYCOY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.25
Rot. Bonds2

About 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10514153) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10514153
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1
InChIInChI=1S/C14H13N3O/c1-2-11-8-13(18)17-14(16-11)12(9-15-17)10-6-4-3-5-7-10/h3-9,15H,2H2,1H3
InChIKeyCSLWDDCOWKYCOY-UHFFFAOYSA-N
XLogP2.25
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10514153) is 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1.
What is the InChIKey of 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CSLWDDCOWKYCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-11-8-13(18)17-14(16-11)12(9-15-17)10-6-4-3-5-7-10/h3-9,15H,2H2,1H3.
What are the key properties of 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 239.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10514153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).