5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one

C17H14Cl2N2O — CID 141131801

IUPAC5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one
SMILESCC(c1ccccc1)N1N=C(c2cc(Cl)cc(Cl)c2)CC1=O
InChIInChI=1S/C17H14Cl2N2O/c1-11(12-5-3-2-4-6-12)21-17(22)10-16(20-21)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3
InChIKeyBZBGWMKVTOBEKO-UHFFFAOYSA-N
MW333.22 g/mol
LogP4.69
Rot. Bonds3

About 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one

5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one (PubChem CID 141131801) has the molecular formula C17H14Cl2N2O and a molecular weight of 333.22 g/mol. Its IUPAC name is 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one
PubChem CID141131801
Molecular FormulaC17H14Cl2N2O
Molecular Weight333.22 g/mol
Exact Mass332.05
IUPAC Name5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one
SMILESCC(c1ccccc1)N1N=C(c2cc(Cl)cc(Cl)c2)CC1=O
InChIInChI=1S/C17H14Cl2N2O/c1-11(12-5-3-2-4-6-12)21-17(22)10-16(20-21)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3
InChIKeyBZBGWMKVTOBEKO-UHFFFAOYSA-N
XLogP4.69
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one?
The IUPAC name of 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one (CID 141131801) is 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one.
What is the SMILES notation for 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one?
The canonical SMILES for 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one is CC(c1ccccc1)N1N=C(c2cc(Cl)cc(Cl)c2)CC1=O.
What is the InChIKey of 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one?
The InChIKey is BZBGWMKVTOBEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2O/c1-11(12-5-3-2-4-6-12)21-17(22)10-16(20-21)13-7-14(18)9-15(19)8-13/h2-9,11H,10H2,1H3.
What are the key properties of 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one?
5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one has a molecular weight of 333.22 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dichlorophenyl)-2-(1-phenylethyl)-4H-pyrazol-3-one is sourced from PubChem (CID 141131801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).