5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide

C22H24N4O4S — CID 36656496

IUPAC5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)c1
InChIInChI=1S/C22H24N4O4S/c1-16-5-3-7-19(13-16)26-17(2)21(15-23-26)22(27)24-18-6-4-8-20(14-18)31(28,29)25-9-11-30-12-10-25/h3-8,13-15H,9-12H2,1-2H3,(H,24,27)
InChIKeyFVFGDABVBSMPMT-UHFFFAOYSA-N
MW440.53 g/mol
LogP2.76
Rot. Bonds5

About 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide

5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide (PubChem CID 36656496) has the molecular formula C22H24N4O4S and a molecular weight of 440.53 g/mol. Its IUPAC name is 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
PubChem CID36656496
Molecular FormulaC22H24N4O4S
Molecular Weight440.53 g/mol
Exact Mass440.15
IUPAC Name5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2ncc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)c1
InChIInChI=1S/C22H24N4O4S/c1-16-5-3-7-19(13-16)26-17(2)21(15-23-26)22(27)24-18-6-4-8-20(14-18)31(28,29)25-9-11-30-12-10-25/h3-8,13-15H,9-12H2,1-2H3,(H,24,27)
InChIKeyFVFGDABVBSMPMT-UHFFFAOYSA-N
XLogP2.76
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide (CID 36656496) is 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide is Cc1cccc(-n2ncc(C(=O)Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2C)c1.
What is the InChIKey of 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide?
The InChIKey is FVFGDABVBSMPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4S/c1-16-5-3-7-19(13-16)26-17(2)21(15-23-26)22(27)24-18-6-4-8-20(14-18)31(28,29)25-9-11-30-12-10-25/h3-8,13-15H,9-12H2,1-2H3,(H,24,27).
What are the key properties of 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide?
5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide has a molecular weight of 440.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-methylphenyl)-N-(3-morpholin-4-ylsulfonylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 36656496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).