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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Related Compounds

5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22308864
3-(2,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 22029345
2-[5-(4-chloro-3-methoxyphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl]acetic acid
CID 90110510
3-(2,4-dichlorophenyl)-5-ethyl-1H-1,2,4-triazole
CID 61278120
3-(4-chlorophenyl)-5-(4-nitrophenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 3764450
2,4,6-tris(2,4-dichlorophenyl)pyridine
CID 86059634
5-(2-chlorophenyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 17147880
2,6-bis(2,4-dichlorophenyl)pyridin-4-amine
CID 133087176
5-(4-ethylsulfanylphenyl)-3-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 164541055
3-(3,4-dichlorophenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274180
6-(2,4-dichlorophenyl)-4-methyl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 76847484
5-ethyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 10514153

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).