3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide

C27H26N4O4S — CID 4095030

IUPAC3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C27H26N4O4S/c1-20-10-12-21(13-11-20)26-25(19-31(29-26)23-7-3-2-4-8-23)27(32)28-22-6-5-9-24(18-22)36(33,34)30-14-16-35-17-15-30/h2-13,18-19H,14-17H2,1H3,(H,28,32)
InChIKeyQQXGTKKFPYCAEN-UHFFFAOYSA-N
MW502.60 g/mol
LogP4.12
Rot. Bonds6

About 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide

3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 4095030) has the molecular formula C27H26N4O4S and a molecular weight of 502.60 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID4095030
Molecular FormulaC27H26N4O4S
Molecular Weight502.60 g/mol
Exact Mass502.17
IUPAC Name3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C27H26N4O4S/c1-20-10-12-21(13-11-20)26-25(19-31(29-26)23-7-3-2-4-8-23)27(32)28-22-6-5-9-24(18-22)36(33,34)30-14-16-35-17-15-30/h2-13,18-19H,14-17H2,1H3,(H,28,32)
InChIKeyQQXGTKKFPYCAEN-UHFFFAOYSA-N
XLogP4.12
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
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)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579168
N-[2-(morpholin-4-yl)ethyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 17469911
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

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide (CID 4095030) is 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide is Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is QQXGTKKFPYCAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4S/c1-20-10-12-21(13-11-20)26-25(19-31(29-26)23-7-3-2-4-8-23)27(32)28-22-6-5-9-24(18-22)36(33,34)30-14-16-35-17-15-30/h2-13,18-19H,14-17H2,1H3,(H,28,32).
What are the key properties of 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 502.60 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 4095030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).