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

C28H27Cl2N3O — CID 42660553

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C28H27Cl2N3O/c1-17-5-6-19(3)26(13-17)33-27(16-25(32-33)22-8-7-18(2)20(4)14-22)28(34)31-12-11-21-9-10-23(29)15-24(21)30/h5-10,13-16H,11-12H2,1-4H3,(H,31,34)
InChIKeyRTNZFWVQECEQHU-UHFFFAOYSA-N
MW492.45 g/mol
LogP7.05
Rot. Bonds6

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

N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide (PubChem CID 42660553) has the molecular formula C28H27Cl2N3O and a molecular weight of 492.45 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
PubChem CID42660553
Molecular FormulaC28H27Cl2N3O
Molecular Weight492.45 g/mol
Exact Mass491.15
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)NCCc2ccc(Cl)cc2Cl)c1
InChIInChI=1S/C28H27Cl2N3O/c1-17-5-6-19(3)26(13-17)33-27(16-25(32-33)22-8-7-18(2)20(4)14-22)28(34)31-12-11-21-9-10-23(29)15-24(21)30/h5-10,13-16H,11-12H2,1-4H3,(H,31,34)
InChIKeyRTNZFWVQECEQHU-UHFFFAOYSA-N
XLogP7.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.45
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42660564
3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
CID 42759423
1-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5195626
N-[2-(2,4-dichlorophenyl)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 4309486
N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 42755261
N-butyl-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3993802
N-[2-(2,4-dichlorophenyl)ethyl]-3-(4-fluoro-3-methylphenyl)-1H-pyrazole-5-carboxamide
CID 110300163
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 5021032
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3577494
N-[2-(2,4-dichlorophenyl)ethyl]-1-methyl-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 42759469
2-tert-butyl-N-[2-(2,4-dichlorophenyl)ethyl]-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079784
1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42755416

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide (CID 42660553) is N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide is Cc1ccc(C)c(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)NCCc2ccc(Cl)cc2Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The InChIKey is RTNZFWVQECEQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O/c1-17-5-6-19(3)26(13-17)33-27(16-25(32-33)22-8-7-18(2)20(4)14-22)28(34)31-12-11-21-9-10-23(29)15-24(21)30/h5-10,13-16H,11-12H2,1-4H3,(H,31,34).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide has a molecular weight of 492.45 g/mol, XLogP of 7.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42660553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).