4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

C23H13Cl3F4N2O2 — CID 19587276

IUPAC4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1
InChIInChI=1S/C23H13Cl3F4N2O2/c24-14-5-10-18(17(25)11-14)32-21(13-3-8-16(9-4-13)34-23(29)30)19(26)20(31-32)12-1-6-15(7-2-12)33-22(27)28/h1-11,22-23H
InChIKeyGGRJTNSPJGTRIG-UHFFFAOYSA-N
MW531.72 g/mol
LogP8.37
Rot. Bonds7

About 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole

4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (PubChem CID 19587276) has the molecular formula C23H13Cl3F4N2O2 and a molecular weight of 531.72 g/mol. Its IUPAC name is 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
PubChem CID19587276
Molecular FormulaC23H13Cl3F4N2O2
Molecular Weight531.72 g/mol
Exact Mass530.00
IUPAC Name4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole
SMILESFC(F)Oc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1
InChIInChI=1S/C23H13Cl3F4N2O2/c24-14-5-10-18(17(25)11-14)32-21(13-3-8-16(9-4-13)34-23(29)30)19(26)20(31-32)12-1-6-15(7-2-12)33-22(27)28/h1-11,22-23H
InChIKeyGGRJTNSPJGTRIG-UHFFFAOYSA-N
XLogP8.37
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.72
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-Chlorophenyl)-1-(4-methoxyphenyl)-3-trifluoromethylpyrazole
CID 4306515
1-(4-Chloro-phenyl)-5-(4-methoxy-phenyl)-3-trifluoromethyl-1H-pyrazole
CID 10360688
1,5-Bis(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10569712
5-(4-Methoxyphenyl)-1,3-diphenyl-1H-pyrazole
CID 14532339
1-[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-N-phenylmethanimine
CID 72198031
N-((1-(4-chlorophenyl)-3-(4-methoxyphenyl)-1h-pyrazol-4-yl)methylene)-4-methoxyaniline
CID 72198032
N-(4-chlorophenyl)-1-[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanimine
CID 72198033
1-Benzyl-5-chloro-3-(4-methoxyphenyl)-4-(2,4,6-trifluorophenyl)pyrazole
CID 66881156
4-[2-(4-Fluorophenyl)ethyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenyl-pyrazole
CID 74767582
4-[(E)-2-(3-fluorophenyl)vinyl]-5-methoxy-3-(4-methoxyphenyl)-1-phenyl-pyrazole
CID 90154159
1H-Pyrazole, 5-(4-methoxyphenyl)-1-phenyl-3-(trifluoromethyl)-
CID 10313785
4-[5-[4-(Benzyloxy)phenyl]-1-(3-chloro-4-fluorophenyl)-1h-pyrazol-3-yl]aniline
CID 129842690

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The IUPAC name of 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole (CID 19587276) is 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole.
What is the SMILES notation for 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The canonical SMILES for 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is FC(F)Oc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
The InChIKey is GGRJTNSPJGTRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13Cl3F4N2O2/c24-14-5-10-18(17(25)11-14)32-21(13-3-8-16(9-4-13)34-23(29)30)19(26)20(31-32)12-1-6-15(7-2-12)33-22(27)28/h1-11,22-23H.
What are the key properties of 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole?
4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole has a molecular weight of 531.72 g/mol, XLogP of 8.37, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2,4-dichlorophenyl)-3,5-bis[4-(difluoromethoxy)phenyl]pyrazole is sourced from PubChem (CID 19587276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).