2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one

C20H16Cl2N4O — CID 1473342

IUPAC2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H16Cl2N4O/c1-12-11-18(25(23-12)16-7-3-14(21)4-8-16)19-13(2)24-26(20(19)27)17-9-5-15(22)6-10-17/h3-11,24H,1-2H3
InChIKeySRJBHCHZOXMQFN-UHFFFAOYSA-N
MW399.28 g/mol
LogP4.94
Rot. Bonds3

About 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one

2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one (PubChem CID 1473342) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one
PubChem CID1473342
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one
SMILESCc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C20H16Cl2N4O/c1-12-11-18(25(23-12)16-7-3-14(21)4-8-16)19-13(2)24-26(20(19)27)17-9-5-15(22)6-10-17/h3-11,24H,1-2H3
InChIKeySRJBHCHZOXMQFN-UHFFFAOYSA-N
XLogP4.94
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one (CID 1473342) is 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one is Cc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one?
The InChIKey is SRJBHCHZOXMQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c1-12-11-18(25(23-12)16-7-3-14(21)4-8-16)19-13(2)24-26(20(19)27)17-9-5-15(22)6-10-17/h3-11,24H,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one?
2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one has a molecular weight of 399.28 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[2-(4-chlorophenyl)-5-methylpyrazol-3-yl]-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 1473342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).