1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide

C68H78Cl3N13O8S2 — CID 159806647

IUPAC1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide
SMILESCCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(S(=O)(=O)CC2CCOCC2)nc1.CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccnc1.CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C26H31ClN4O4S.C22H26ClN5O3S.C20H21ClN4O/c1-3-4-24(20-5-10-25(28-15-20)36(33,34)17-19-11-13-35-14-12-19)30-26(32)23-16-29-31(18(23)2)22-8-6-21(27)7-9-22;1-5-6-21(16-11-19(13-24-12-16)32(30,31)27(3)4)26-22(29)20-14-25-28(15(20)2)18-9-7-17(23)8-10-18;1-3-5-19(15-6-4-11-22-12-15)24-20(26)18-13-23-25(14(18)2)17-9-7-16(21)8-10-17/h5-10,15-16,19,24H,3-4,11-14,17H2,1-2H3,(H,30,32);7-14,21H,5-6H2,1-4H3,(H,26,29);4,6-13,19H,3,5H2,1-2H3,(H,24,26)
InChIKeyNKMFEBUCZUEVRJ-UHFFFAOYSA-N
MW1375.95 g/mol
LogP12.95
Rot. Bonds23

About 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide (PubChem CID 159806647) has the molecular formula C68H78Cl3N13O8S2 and a molecular weight of 1375.95 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide
PubChem CID159806647
Molecular FormulaC68H78Cl3N13O8S2
Molecular Weight1375.95 g/mol
Exact Mass1373.46
IUPAC Name1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide
SMILESCCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(S(=O)(=O)CC2CCOCC2)nc1.CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccnc1.CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C26H31ClN4O4S.C22H26ClN5O3S.C20H21ClN4O/c1-3-4-24(20-5-10-25(28-15-20)36(33,34)17-19-11-13-35-14-12-19)30-26(32)23-16-29-31(18(23)2)22-8-6-21(27)7-9-22;1-5-6-21(16-11-19(13-24-12-16)32(30,31)27(3)4)26-22(29)20-14-25-28(15(20)2)18-9-7-17(23)8-10-18;1-3-5-19(15-6-4-11-22-12-15)24-20(26)18-13-23-25(14(18)2)17-9-7-16(21)8-10-17/h5-10,15-16,19,24H,3-4,11-14,17H2,1-2H3,(H,30,32);7-14,21H,5-6H2,1-4H3,(H,26,29);4,6-13,19H,3,5H2,1-2H3,(H,24,26)
InChIKeyNKMFEBUCZUEVRJ-UHFFFAOYSA-N
XLogP12.95
TPSA260.18 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001375.95
LogP ≤ 512.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide (CID 159806647) is 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide is CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1ccc(S(=O)(=O)CC2CCOCC2)nc1.CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cccnc1.CCCC(NC(=O)c1cnn(-c2ccc(Cl)cc2)c1C)c1cncc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide?
The InChIKey is NKMFEBUCZUEVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN4O4S.C22H26ClN5O3S.C20H21ClN4O/c1-3-4-24(20-5-10-25(28-15-20)36(33,34)17-19-11-13-35-14-12-19)30-26(32)23-16-29-31(18(23)2)22-8-6-21(27)7-9-22;1-5-6-21(16-11-19(13-24-12-16)32(30,31)27(3)4)26-22(29)20-14-25-28(15(20)2)18-9-7-17(23)8-10-18;1-3-5-19(15-6-4-11-22-12-15)24-20(26)18-13-23-25(14(18)2)17-9-7-16(21)8-10-17/h5-10,15-16,19,24H,3-4,11-14,17H2,1-2H3,(H,30,32);7-14,21H,5-6H2,1-4H3,(H,26,29);4,6-13,19H,3,5H2,1-2H3,(H,24,26).
What are the key properties of 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide has a molecular weight of 1375.95 g/mol, XLogP of 12.95, 23 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-[5-(dimethylsulfamoyl)-3-pyridinyl]butyl]-5-methylpyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-[1-[6-(oxan-4-ylmethylsulfonyl)-3-pyridinyl]butyl]pyrazole-4-carboxamide;1-(4-chlorophenyl)-5-methyl-N-(1-pyridin-3-ylbutyl)pyrazole-4-carboxamide is sourced from PubChem (CID 159806647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).