4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide

C97H103N25O16S5 — CID 157149437

IUPAC4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]ccc3c2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3n2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc(-c3ccccc3)cs2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc3ccccc3[nH]2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C25H26N6O4S2.C25H26N6O4S.C24H26N6O4S.C23H25N7O4S/c1-25(2,3)20-14-21(27-23(33)28-24-26-19(15-36-24)16-8-6-5-7-9-16)31(29-20)18-12-10-17(11-13-18)22(32)30-37(4,34)35;1-25(2,3)20-15-22(28-24(33)27-21-14-11-16-7-5-6-8-19(16)26-21)31(29-20)18-12-9-17(10-13-18)23(32)30-36(4,34)35;1-24(2,3)20-14-21(27-23(32)26-17-7-10-19-16(13-17)11-12-25-19)30(28-20)18-8-5-15(6-9-18)22(31)29-35(4,33)34;1-23(2,3)18-13-19(26-22(32)27-21-24-16-7-5-6-8-17(16)25-21)30(28-18)15-11-9-14(10-12-15)20(31)29-35(4,33)34/h5-15H,1-4H3,(H,30,32)(H2,26,27,28,33);5-15H,1-4H3,(H,30,32)(H2,26,27,28,33);5-14,25H,1-4H3,(H,29,31)(H2,26,27,32);5-13H,1-4H3,(H,29,31)(H3,24,25,26,27,32)
InChIKeyALBWMKRAQKJBGM-UHFFFAOYSA-N
MW2035.38 g/mol
LogP16.04
Rot. Bonds21

About 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide

4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide (PubChem CID 157149437) has the molecular formula C97H103N25O16S5 and a molecular weight of 2035.38 g/mol. Its IUPAC name is 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide
PubChem CID157149437
Molecular FormulaC97H103N25O16S5
Molecular Weight2035.38 g/mol
Exact Mass2033.66
IUPAC Name4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]ccc3c2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3n2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc(-c3ccccc3)cs2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc3ccccc3[nH]2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1
InChIInChI=1S/C25H26N6O4S2.C25H26N6O4S.C24H26N6O4S.C23H25N7O4S/c1-25(2,3)20-14-21(27-23(33)28-24-26-19(15-36-24)16-8-6-5-7-9-16)31(29-20)18-12-10-17(11-13-18)22(32)30-37(4,34)35;1-25(2,3)20-15-22(28-24(33)27-21-14-11-16-7-5-6-8-19(16)26-21)31(29-20)18-12-9-17(10-13-18)23(32)30-36(4,34)35;1-24(2,3)20-14-21(27-23(32)26-17-7-10-19-16(13-17)11-12-25-19)30(28-20)18-8-5-15(6-9-18)22(31)29-35(4,33)34;1-23(2,3)18-13-19(26-22(32)27-21-24-16-7-5-6-8-17(16)25-21)30(28-18)15-11-9-14(10-12-15)20(31)29-35(4,33)34/h5-15H,1-4H3,(H,30,32)(H2,26,27,28,33);5-15H,1-4H3,(H,30,32)(H2,26,27,28,33);5-14,25H,1-4H3,(H,29,31)(H2,26,27,32);5-13H,1-4H3,(H,29,31)(H3,24,25,26,27,32)
InChIKeyALBWMKRAQKJBGM-UHFFFAOYSA-N
XLogP16.04
TPSA559.01 Ų
H-Bond Donors14
H-Bond Acceptors28
Rotatable Bonds21
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002035.38
LogP ≤ 516.04
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1028

Analyze 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide?
The IUPAC name of 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide (CID 157149437) is 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide.
What is the SMILES notation for 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide?
The canonical SMILES for 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide is CC(C)(C)c1cc(NC(=O)Nc2ccc3[nH]ccc3c2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2ccc3ccccc3n2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc(-c3ccccc3)cs2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.CC(C)(C)c1cc(NC(=O)Nc2nc3ccccc3[nH]2)n(-c2ccc(C(=O)NS(C)(=O)=O)cc2)n1.
What is the InChIKey of 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide?
The InChIKey is ALBWMKRAQKJBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O4S2.C25H26N6O4S.C24H26N6O4S.C23H25N7O4S/c1-25(2,3)20-14-21(27-23(33)28-24-26-19(15-36-24)16-8-6-5-7-9-16)31(29-20)18-12-10-17(11-13-18)22(32)30-37(4,34)35;1-25(2,3)20-15-22(28-24(33)27-21-14-11-16-7-5-6-8-19(16)26-21)31(29-20)18-12-9-17(10-13-18)23(32)30-36(4,34)35;1-24(2,3)20-14-21(27-23(32)26-17-7-10-19-16(13-17)11-12-25-19)30(28-20)18-8-5-15(6-9-18)22(31)29-35(4,33)34;1-23(2,3)18-13-19(26-22(32)27-21-24-16-7-5-6-8-17(16)25-21)30(28-18)15-11-9-14(10-12-15)20(31)29-35(4,33)34/h5-15H,1-4H3,(H,30,32)(H2,26,27,28,33);5-15H,1-4H3,(H,30,32)(H2,26,27,28,33);5-14,25H,1-4H3,(H,29,31)(H2,26,27,32);5-13H,1-4H3,(H,29,31)(H3,24,25,26,27,32).
What are the key properties of 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide?
4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide has a molecular weight of 2035.38 g/mol, XLogP of 16.04, 21 rotatable bonds, 14 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1H-benzimidazol-2-ylcarbamoylamino)-3-tert-butylpyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(1H-indol-5-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-[(4-phenyl-1,3-thiazol-2-yl)carbamoylamino]pyrazol-1-yl]-N-methylsulfonylbenzamide;4-[3-tert-butyl-5-(quinolin-2-ylcarbamoylamino)pyrazol-1-yl]-N-methylsulfonylbenzamide is sourced from PubChem (CID 157149437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).