1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide

C24H17Cl3FN3O — CID 42660564

IUPAC1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C24H17Cl3FN3O/c25-17-2-1-3-20(12-17)31-23(14-22(30-31)16-5-8-19(28)9-6-16)24(32)29-11-10-15-4-7-18(26)13-21(15)27/h1-9,12-14H,10-11H2,(H,29,32)
InChIKeyGIMWAGRJVKEMCL-UHFFFAOYSA-N
MW488.78 g/mol
LogP6.61
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide

1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 42660564) has the molecular formula C24H17Cl3FN3O and a molecular weight of 488.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
PubChem CID42660564
Molecular FormulaC24H17Cl3FN3O
Molecular Weight488.78 g/mol
Exact Mass487.04
IUPAC Name1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C24H17Cl3FN3O/c25-17-2-1-3-20(12-17)31-23(14-22(30-31)16-5-8-19(28)9-6-16)24(32)29-11-10-15-4-7-18(26)13-21(15)27/h1-9,12-14H,10-11H2,(H,29,32)
InChIKeyGIMWAGRJVKEMCL-UHFFFAOYSA-N
XLogP6.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.78
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 3945294
2-[[1-(3-chlorophenyl)-3-(4-fluorophenyl)pyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7231781
N-[2-(2,4-dichlorophenyl)ethyl]-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080104
N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 4309486
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 42755212
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42660553
1-(3-chlorophenyl)-N-(3-methoxypropyl)-3-phenylpyrazole-5-carboxamide
CID 4561302
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 5199691
3-(4-fluorophenyl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7499258
1-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3620138
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 5021032
N-butyl-3-(4-fluorophenyl)-1-(3-nitrophenyl)pyrazole-5-carboxamide
CID 3911082

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide (CID 42660564) is 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide is O=C(NCCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(F)cc2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is GIMWAGRJVKEMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl3FN3O/c25-17-2-1-3-20(12-17)31-23(14-22(30-31)16-5-8-19(28)9-6-16)24(32)29-11-10-15-4-7-18(26)13-21(15)27/h1-9,12-14H,10-11H2,(H,29,32).
What are the key properties of 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide?
1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 488.78 g/mol, XLogP of 6.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42660564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).