5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

C24H15Cl3F3N3O — CID 122194926

IUPAC5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nn(-c2cc(Cl)cc(Cl)c2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H15Cl3F3N3O/c1-13-21(23(34)31-19-4-2-3-15(9-19)24(28,29)30)32-33(20-11-17(26)10-18(27)12-20)22(13)14-5-7-16(25)8-6-14/h2-12H,1H3,(H,31,34)
InChIKeyDLXWZBNWPDMXTA-UHFFFAOYSA-N
MW524.76 g/mol
LogP8.08
Rot. Bonds4

About 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 122194926) has the molecular formula C24H15Cl3F3N3O and a molecular weight of 524.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
PubChem CID122194926
Molecular FormulaC24H15Cl3F3N3O
Molecular Weight524.76 g/mol
Exact Mass523.02
IUPAC Name5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nn(-c2cc(Cl)cc(Cl)c2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H15Cl3F3N3O/c1-13-21(23(34)31-19-4-2-3-15(9-19)24(28,29)30)32-33(20-11-17(26)10-18(27)12-20)22(13)14-5-7-16(25)8-6-14/h2-12H,1H3,(H,31,34)
InChIKeyDLXWZBNWPDMXTA-UHFFFAOYSA-N
XLogP8.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.76
LogP ≤ 58.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide (CID 122194926) is 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nn(-c2cc(Cl)cc(Cl)c2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is DLXWZBNWPDMXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3F3N3O/c1-13-21(23(34)31-19-4-2-3-15(9-19)24(28,29)30)32-33(20-11-17(26)10-18(27)12-20)22(13)14-5-7-16(25)8-6-14/h2-12H,1H3,(H,31,34).
What are the key properties of 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 524.76 g/mol, XLogP of 8.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(3,5-dichlorophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 122194926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).