5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C16H11ClN4OS — CID 90126909

IUPAC5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cnc(-c2c[nH]n3c(=O)cc(-c4ccc(Cl)cc4)nc23)s1
InChIInChI=1S/C16H11ClN4OS/c1-9-7-18-16(23-9)12-8-19-21-14(22)6-13(20-15(12)21)10-2-4-11(17)5-3-10/h2-8,19H,1H3
InChIKeyHRKXXFJOEBLOAB-UHFFFAOYSA-N
MW342.81 g/mol
LogP3.77
Rot. Bonds2

About 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90126909) has the molecular formula C16H11ClN4OS and a molecular weight of 342.81 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90126909
Molecular FormulaC16H11ClN4OS
Molecular Weight342.81 g/mol
Exact Mass342.03
IUPAC Name5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cnc(-c2c[nH]n3c(=O)cc(-c4ccc(Cl)cc4)nc23)s1
InChIInChI=1S/C16H11ClN4OS/c1-9-7-18-16(23-9)12-8-19-21-14(22)6-13(20-15(12)21)10-2-4-11(17)5-3-10/h2-8,19H,1H3
InChIKeyHRKXXFJOEBLOAB-UHFFFAOYSA-N
XLogP3.77
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90126909) is 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cnc(-c2c[nH]n3c(=O)cc(-c4ccc(Cl)cc4)nc23)s1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is HRKXXFJOEBLOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN4OS/c1-9-7-18-16(23-9)12-8-19-21-14(22)6-13(20-15(12)21)10-2-4-11(17)5-3-10/h2-8,19H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 342.81 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90126909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).