5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide

C24H21Cl3N4OS — CID 56661620

IUPAC5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
SMILESCc1ncc(C(C)(C)NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)s1
InChIInChI=1S/C24H21Cl3N4OS/c1-13-21(23(32)29-24(3,4)20-12-28-14(2)33-20)30-31(19-10-9-17(26)11-18(19)27)22(13)15-5-7-16(25)8-6-15/h5-12H,1-4H3,(H,29,32)
InChIKeyVGYKEHPIJGRBMB-UHFFFAOYSA-N
MW519.89 g/mol
LogP7.24
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide

5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide (PubChem CID 56661620) has the molecular formula C24H21Cl3N4OS and a molecular weight of 519.89 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
PubChem CID56661620
Molecular FormulaC24H21Cl3N4OS
Molecular Weight519.89 g/mol
Exact Mass518.05
IUPAC Name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide
SMILESCc1ncc(C(C)(C)NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)s1
InChIInChI=1S/C24H21Cl3N4OS/c1-13-21(23(32)29-24(3,4)20-12-28-14(2)33-20)30-31(19-10-9-17(26)11-18(19)27)22(13)15-5-7-16(25)8-6-15/h5-12H,1-4H3,(H,29,32)
InChIKeyVGYKEHPIJGRBMB-UHFFFAOYSA-N
XLogP7.24
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.89
LogP ≤ 57.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide (CID 56661620) is 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide is Cc1ncc(C(C)(C)NC(=O)c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)c2C)s1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
The InChIKey is VGYKEHPIJGRBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl3N4OS/c1-13-21(23(32)29-24(3,4)20-12-28-14(2)33-20)30-31(19-10-9-17(26)11-18(19)27)22(13)15-5-7-16(25)8-6-15/h5-12H,1-4H3,(H,29,32).
What are the key properties of 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide?
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide has a molecular weight of 519.89 g/mol, XLogP of 7.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-[2-(2-methyl-1,3-thiazol-5-yl)propan-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 56661620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).