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

C19H13ClFN3O — CID 17079185

IUPAC5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H13ClFN3O/c1-11-18(13-4-8-15(21)9-5-13)19-22-16(10-17(25)24(19)23-11)12-2-6-14(20)7-3-12/h2-10,23H,1H3
InChIKeyKLSVHBHWNZTOOE-UHFFFAOYSA-N
MW353.78 g/mol
LogP4.46
Rot. Bonds2

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

5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 17079185) has the molecular formula C19H13ClFN3O and a molecular weight of 353.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID17079185
Molecular FormulaC19H13ClFN3O
Molecular Weight353.78 g/mol
Exact Mass353.07
IUPAC Name5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc2c1-c1ccc(F)cc1
InChIInChI=1S/C19H13ClFN3O/c1-11-18(13-4-8-15(21)9-5-13)19-22-16(10-17(25)24(19)23-11)12-2-6-14(20)7-3-12/h2-10,23H,1H3
InChIKeyKLSVHBHWNZTOOE-UHFFFAOYSA-N
XLogP4.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 17079185) is 5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1[nH]n2c(=O)cc(-c3ccc(Cl)cc3)nc2c1-c1ccc(F)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is KLSVHBHWNZTOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3O/c1-11-18(13-4-8-15(21)9-5-13)19-22-16(10-17(25)24(19)23-11)12-2-6-14(20)7-3-12/h2-10,23H,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 353.78 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-fluorophenyl)-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 17079185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).