(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole

C22H17Cl2FN2O — CID 7482196

IUPAC(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-14(5-10-18)21-13-22(15-2-6-16(25)7-3-15)27(26-21)17-8-11-19(23)20(24)12-17/h2-12,22H,13H2,1H3/t22-/m1/s1
InChIKeyOYDIFJZCOCCYHG-JOCHJYFZSA-N
MW415.30 g/mol
LogP6.50
Rot. Bonds4

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

(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 7482196) has the molecular formula C22H17Cl2FN2O and a molecular weight of 415.30 g/mol. Its IUPAC name is (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID7482196
Molecular FormulaC22H17Cl2FN2O
Molecular Weight415.30 g/mol
Exact Mass414.07
IUPAC Name(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-14(5-10-18)21-13-22(15-2-6-16(25)7-3-15)27(26-21)17-8-11-19(23)20(24)12-17/h2-12,22H,13H2,1H3/t22-/m1/s1
InChIKeyOYDIFJZCOCCYHG-JOCHJYFZSA-N
XLogP6.50
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.30
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole with MolForge

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Related Compounds

(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
5-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142864
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
3-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole
CID 3091732
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
(3S)-3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7277243
3,5-bis(4-chlorophenyl)-2-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46502755
2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 11835945
(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7154940
(3S)-2-(3,4-dichlorophenyl)-5-(4-fluorophenyl)-3-(2,3,4-trimethoxyphenyl)-3,4-dihydropyrazole
CID 7104195
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
3-(4-bromophenyl)-2-(3-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3290155

Frequently Asked Questions

What is the IUPAC name of (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole (CID 7482196) is (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole is COc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3ccc(F)cc3)C2)cc1.
What is the InChIKey of (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is OYDIFJZCOCCYHG-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H17Cl2FN2O/c1-28-18-9-4-14(5-10-18)21-13-22(15-2-6-16(25)7-3-15)27(26-21)17-8-11-19(23)20(24)12-17/h2-12,22H,13H2,1H3/t22-/m1/s1.
What are the key properties of (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole has a molecular weight of 415.30 g/mol, XLogP of 6.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 7482196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).