1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

C28H26Cl2N4O4S — CID 90656824

IUPAC1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C28H26Cl2N4O4S/c1-18-3-6-20(7-4-18)27-23(17-34(32-27)25-10-8-21(29)15-24(25)30)28(35)31-22-9-5-19(2)26(16-22)39(36,37)33-11-13-38-14-12-33/h3-10,15-17H,11-14H2,1-2H3,(H,31,35)
InChIKeyWMANSNGQUXOIKU-UHFFFAOYSA-N
MW585.51 g/mol
LogP5.74
Rot. Bonds6

About 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 90656824) has the molecular formula C28H26Cl2N4O4S and a molecular weight of 585.51 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID90656824
Molecular FormulaC28H26Cl2N4O4S
Molecular Weight585.51 g/mol
Exact Mass584.11
IUPAC Name1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C28H26Cl2N4O4S/c1-18-3-6-20(7-4-18)27-23(17-34(32-27)25-10-8-21(29)15-24(25)30)28(35)31-22-9-5-19(2)26(16-22)39(36,37)33-11-13-38-14-12-33/h3-10,15-17H,11-14H2,1-2H3,(H,31,35)
InChIKeyWMANSNGQUXOIKU-UHFFFAOYSA-N
XLogP5.74
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.51
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3351443
N-[4-methyl-3-(morpholine-4-sulfonyl)phenyl]-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 4230997
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 90656808
1-(4-hydroxybutyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656809
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-1-propan-2-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 90656813
N-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 90656817
1-(4-fluorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656822
1-(3-chlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656823
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 90656825
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-propan-2-ylpyrazole-4-carboxamide
CID 90656827
1-butyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 90656828
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)-1-(naphthalen-2-ylmethyl)pyrazole-4-carboxamide
CID 90656829

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 90656824) is 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)cc2C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is WMANSNGQUXOIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N4O4S/c1-18-3-6-20(7-4-18)27-23(17-34(32-27)25-10-8-21(29)15-24(25)30)28(35)31-22-9-5-19(2)26(16-22)39(36,37)33-11-13-38-14-12-33/h3-10,15-17H,11-14H2,1-2H3,(H,31,35).
What are the key properties of 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 585.51 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 90656824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).