5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H11Cl2N3O — CID 22308919

IUPAC5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c[nH]n2c(=O)cc(-c3ccc(Cl)cc3Cl)nc12
InChIInChI=1S/C14H11Cl2N3O/c1-2-8-7-17-19-13(20)6-12(18-14(8)19)10-4-3-9(15)5-11(10)16/h3-7,17H,2H2,1H3
InChIKeyJDNRZXJFUFCIFD-UHFFFAOYSA-N
MW308.17 g/mol
LogP3.56
Rot. Bonds2

About 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 22308919) has the molecular formula C14H11Cl2N3O and a molecular weight of 308.17 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID22308919
Molecular FormulaC14H11Cl2N3O
Molecular Weight308.17 g/mol
Exact Mass307.03
IUPAC Name5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c[nH]n2c(=O)cc(-c3ccc(Cl)cc3Cl)nc12
InChIInChI=1S/C14H11Cl2N3O/c1-2-8-7-17-19-13(20)6-12(18-14(8)19)10-4-3-9(15)5-11(10)16/h3-7,17H,2H2,1H3
InChIKeyJDNRZXJFUFCIFD-UHFFFAOYSA-N
XLogP3.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 22308919) is 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c[nH]n2c(=O)cc(-c3ccc(Cl)cc3Cl)nc12.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is JDNRZXJFUFCIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O/c1-2-8-7-17-19-13(20)6-12(18-14(8)19)10-4-3-9(15)5-11(10)16/h3-7,17H,2H2,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 308.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-ethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22308919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).