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

C22H17Cl2FN2O — CID 11835945

IUPAC2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3cccc(Cl)c3Cl)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H17Cl2FN2O/c1-28-17-11-7-14(8-12-17)19-13-21(15-5-9-16(25)10-6-15)27(26-19)20-4-2-3-18(23)22(20)24/h2-12,21H,13H2,1H3
InChIKeyNJXHEZGJBVVWBL-UHFFFAOYSA-N
MW415.30 g/mol
LogP6.50
Rot. Bonds4

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

2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole (PubChem CID 11835945) has the molecular formula C22H17Cl2FN2O and a molecular weight of 415.30 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
PubChem CID11835945
Molecular FormulaC22H17Cl2FN2O
Molecular Weight415.30 g/mol
Exact Mass414.07
IUPAC Name2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
SMILESCOc1ccc(C2=NN(c3cccc(Cl)c3Cl)C(c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C22H17Cl2FN2O/c1-28-17-11-7-14(8-12-17)19-13-21(15-5-9-16(25)10-6-15)27(26-19)20-4-2-3-18(23)22(20)24/h2-12,21H,13H2,1H3
InChIKeyNJXHEZGJBVVWBL-UHFFFAOYSA-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

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Related Compounds

3-(4-chlorophenyl)-2-(2,3-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 46500935
(3S)-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7453358
(3R)-2-(3,4-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7482196
2-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3144804
(3S)-3-(4-chlorophenyl)-2-(3-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 7215001
3-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole
CID 3142879
(3S)-2-(3,4-dichlorophenyl)-3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazole
CID 26723226
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
2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
CID 3422586
(3R)-2-(2-bromophenyl)-3,5-bis(4-fluorophenyl)-3,4-dihydropyrazole
CID 7127302
(3R)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-(4-nitrophenyl)-3,4-dihydropyrazole
CID 7154940

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The IUPAC name of 2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole (CID 11835945) is 2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The canonical SMILES for 2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole is COc1ccc(C2=NN(c3cccc(Cl)c3Cl)C(c3ccc(F)cc3)C2)cc1.
What is the InChIKey of 2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
The InChIKey is NJXHEZGJBVVWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17Cl2FN2O/c1-28-17-11-7-14(8-12-17)19-13-21(15-5-9-16(25)10-6-15)27(26-19)20-4-2-3-18(23)22(20)24/h2-12,21H,13H2,1H3.
What are the key properties of 2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole?
2-(2,3-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 2-(2,3-dichlorophenyl)-3-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole is sourced from PubChem (CID 11835945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).