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

C20H15Cl2N3O — CID 167681077

IUPAC7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc(Cl)ccc1-c1cc(=O)[nH]c2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C20H15Cl2N3O/c1-11-9-15(22)7-8-16(11)17-10-18(26)23-20-19(12(2)24-25(17)20)13-3-5-14(21)6-4-13/h3-10H,1-2H3,(H,23,26)
InChIKeyNFNREMVFYVCIJP-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.28
Rot. Bonds2

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

7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (PubChem CID 167681077) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is 7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.

Molecular Properties

Compound Name7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
PubChem CID167681077
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC Name7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one
SMILESCc1cc(Cl)ccc1-c1cc(=O)[nH]c2c(-c3ccc(Cl)cc3)c(C)nn12
InChIInChI=1S/C20H15Cl2N3O/c1-11-9-15(22)7-8-16(11)17-10-18(26)23-20-19(12(2)24-25(17)20)13-3-5-14(21)6-4-13/h3-10H,1-2H3,(H,23,26)
InChIKeyNFNREMVFYVCIJP-UHFFFAOYSA-N
XLogP5.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The IUPAC name of 7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one (CID 167681077) is 7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one.
What is the SMILES notation for 7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The canonical SMILES for 7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is Cc1cc(Cl)ccc1-c1cc(=O)[nH]c2c(-c3ccc(Cl)cc3)c(C)nn12.
What is the InChIKey of 7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
The InChIKey is NFNREMVFYVCIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c1-11-9-15(22)7-8-16(11)17-10-18(26)23-20-19(12(2)24-25(17)20)13-3-5-14(21)6-4-13/h3-10H,1-2H3,(H,23,26).
What are the key properties of 7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one?
7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one has a molecular weight of 384.27 g/mol, XLogP of 5.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-2-methyl-4H-pyrazolo[1,5-a]pyrimidin-5-one is sourced from PubChem (CID 167681077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).