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

C15H13Cl2N3O — CID 22308864

IUPAC5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(-c3cc(Cl)ccc3Cl)nc12
InChIInChI=1S/C15H13Cl2N3O/c1-8(2)11-7-18-20-14(21)6-13(19-15(11)20)10-5-9(16)3-4-12(10)17/h3-8,18H,1-2H3
InChIKeyYOSQWNCPPFJIJU-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.12
Rot. Bonds2

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

5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 22308864) has the molecular formula C15H13Cl2N3O and a molecular weight of 322.20 g/mol. Its IUPAC name is 5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID22308864
Molecular FormulaC15H13Cl2N3O
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(C)c1c[nH]n2c(=O)cc(-c3cc(Cl)ccc3Cl)nc12
InChIInChI=1S/C15H13Cl2N3O/c1-8(2)11-7-18-20-14(21)6-13(19-15(11)20)10-5-9(16)3-4-12(10)17/h3-8,18H,1-2H3
InChIKeyYOSQWNCPPFJIJU-UHFFFAOYSA-N
XLogP4.12
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 22308864) is 5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(C)c1c[nH]n2c(=O)cc(-c3cc(Cl)ccc3Cl)nc12.
What is the InChIKey of 5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YOSQWNCPPFJIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O/c1-8(2)11-7-18-20-14(21)6-13(19-15(11)20)10-5-9(16)3-4-12(10)17/h3-8,18H,1-2H3.
What are the key properties of 5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 322.20 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorophenyl)-3-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 22308864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).