5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

C22H18Cl2N2O — CID 46185758

IUPAC5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3Cl)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H18Cl2N2O/c1-27-18-10-7-15(8-11-18)22-14-21(19-12-9-16(23)13-20(19)24)25-26(22)17-5-3-2-4-6-17/h2-13,22H,14H2,1H3
InChIKeyGIPCMOWBCKZUJZ-UHFFFAOYSA-N
MW397.31 g/mol
LogP6.36
Rot. Bonds4

About 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole

5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 46185758) has the molecular formula C22H18Cl2N2O and a molecular weight of 397.31 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID46185758
Molecular FormulaC22H18Cl2N2O
Molecular Weight397.31 g/mol
Exact Mass396.08
IUPAC Name5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCOc1ccc(C2CC(c3ccc(Cl)cc3Cl)=NN2c2ccccc2)cc1
InChIInChI=1S/C22H18Cl2N2O/c1-27-18-10-7-15(8-11-18)22-14-21(19-12-9-16(23)13-20(19)24)25-26(22)17-5-3-2-4-6-17/h2-13,22H,14H2,1H3
InChIKeyGIPCMOWBCKZUJZ-UHFFFAOYSA-N
XLogP6.36
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.31
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2-(4-chlorophenyl)-5-(2-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453212
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
1-[5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 4057793
2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 5174166
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
4-chloro-2-[(3R)-3-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135591660
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
5-(4-methoxyphenyl)-3-naphthalen-2-yl-2-phenyl-3,4-dihydropyrazole
CID 71525008

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole (CID 46185758) is 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is COc1ccc(C2CC(c3ccc(Cl)cc3Cl)=NN2c2ccccc2)cc1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is GIPCMOWBCKZUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O/c1-27-18-10-7-15(8-11-18)22-14-21(19-12-9-16(23)13-20(19)24)25-26(22)17-5-3-2-4-6-17/h2-13,22H,14H2,1H3.
What are the key properties of 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole?
5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 397.31 g/mol, XLogP of 6.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 46185758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).