5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide

C20H18Cl3N3O — CID 10113020

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H18Cl3N3O/c1-3-10-24-20(27)18-12(2)19(13-4-6-14(21)7-5-13)26(25-18)17-9-8-15(22)11-16(17)23/h4-9,11H,3,10H2,1-2H3,(H,24,27)
InChIKeyLEFMWRMASCQTCY-UHFFFAOYSA-N
MW422.74 g/mol
LogP5.95
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide (PubChem CID 10113020) has the molecular formula C20H18Cl3N3O and a molecular weight of 422.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide
PubChem CID10113020
Molecular FormulaC20H18Cl3N3O
Molecular Weight422.74 g/mol
Exact Mass421.05
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C
InChIInChI=1S/C20H18Cl3N3O/c1-3-10-24-20(27)18-12(2)19(13-4-6-14(21)7-5-13)26(25-18)17-9-8-15(22)11-16(17)23/h4-9,11H,3,10H2,1-2H3,(H,24,27)
InChIKeyLEFMWRMASCQTCY-UHFFFAOYSA-N
XLogP5.95
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.74
LogP ≤ 55.95
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-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide (CID 10113020) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide?
The InChIKey is LEFMWRMASCQTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N3O/c1-3-10-24-20(27)18-12(2)19(13-4-6-14(21)7-5-13)26(25-18)17-9-8-15(22)11-16(17)23/h4-9,11H,3,10H2,1-2H3,(H,24,27).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide has a molecular weight of 422.74 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 10113020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).