2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H12ClN3O — CID 784601

IUPAC2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3cccc(Cl)c3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H12ClN3O/c1-8-9(2)16-13-7-12(17-18(13)14(8)19)10-4-3-5-11(15)6-10/h3-7,17H,1-2H3
InChIKeyGHXJYPVESVQEKD-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.96
Rot. Bonds1

About 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 784601) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID784601
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC Name2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2cc(-c3cccc(Cl)c3)[nH]n2c(=O)c1C
InChIInChI=1S/C14H12ClN3O/c1-8-9(2)16-13-7-12(17-18(13)14(8)19)10-4-3-5-11(15)6-10/h3-7,17H,1-2H3
InChIKeyGHXJYPVESVQEKD-UHFFFAOYSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-3,5,6-trimethylpyrimidin-4-one
CID 123522555
5,6-dimethyl-2-(3-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 82270176
2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761950
2-(4-chlorophenyl)-6-methoxy-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 146424002
2-(3-chlorophenyl)-5-(pyrazol-1-ylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 92568407
5-(3-chlorophenyl)-2-methyl-1H-pyrazol-3-one
CID 118542407
6-(2-hydroxyethyl)-2-(3-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271735
3-methyl-7-phenyl-6H-pyrazolo[5,1-c][1,2,4]triazin-4-one
CID 20578627
5,7-dichloro-2-phenyl-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 131845918
ethyl 3-[5-methyl-2-(3-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl]propanoate
CID 845863
5,6-dimethyl-2-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 104621334
6-(2-aminoethyl)-5-methyl-2-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271828

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 784601) is 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2cc(-c3cccc(Cl)c3)[nH]n2c(=O)c1C.
What is the InChIKey of 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GHXJYPVESVQEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-8-9(2)16-13-7-12(17-18(13)14(8)19)10-4-3-5-11(15)6-10/h3-7,17H,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 273.72 g/mol, XLogP of 2.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 784601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).