5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C73H78F2N16O6S — CID 159119701

About 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 159119701) has the molecular formula C73H78F2N16O6S and a molecular weight of 1345.60 g/mol. Its IUPAC name is 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
• PubChem CID: 159119701
• Molecular Formula: C73H78F2N16O6S
• Molecular Weight: 1345.60 g/mol
• Exact Mass: 1344.60
• IUPAC Name: 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(F)(F)CC3)c(N)c2C(N)=O)cc1.Cc1csc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)n1
• InChI: InChI=1S/C25H27F2N5O2.C25H29N5O2.C23H22N6O2S/c1-15-4-2-3-5-19(15)24(34)30-14-16-6-8-17(9-7-16)21-20(23(29)33)22(28)32(31-21)18-10-12-25(26,27)13-11-18;1-16-7-3-6-10-20(16)24(31)28-15-17-11-13-18(14-12-17)22-21(25(32)27-2)23(26)30(29-22)19-8-4-5-9-19;1-13-5-3-4-6-17(13)22(31)26-11-15-7-9-16(10-8-15)19-18(21(25)30)20(24)29(28-19)23-27-14(2)12-32-23/h2-9,18H,10-14,28H2,1H3,(H2,29,33)(H,30,34);3,6-7,10-14,19H,4-5,8-9,15,26H2,1-2H3,(H,27,32)(H,28,31);3-10,12H,11,24H2,1-2H3,(H2,25,30)(H,26,31)
• InChIKey: KFNOGWZYZKGLEE-UHFFFAOYSA-N
• XLogP: 11.29
• TPSA: 346.99 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 18
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1345.60
LogP ≤ 5	11.29
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 159119701) is 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is CNC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCC(F)(F)CC3)c(N)c2C(N)=O)cc1.Cc1csc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)n1.

What is the InChIKey of 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

The InChIKey is KFNOGWZYZKGLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O2.C25H29N5O2.C23H22N6O2S/c1-15-4-2-3-5-19(15)24(34)30-14-16-6-8-17(9-7-16)21-20(23(29)33)22(28)32(31-21)18-10-12-25(26,27)13-11-18;1-16-7-3-6-10-20(16)24(31)28-15-17-11-13-18(14-12-17)22-21(25(32)27-2)23(26)30(29-22)19-8-4-5-9-19;1-13-5-3-4-6-17(13)22(31)26-11-15-7-9-16(10-8-15)19-18(21(25)30)20(24)29(28-19)23-27-14(2)12-32-23/h2-9,18H,10-14,28H2,1H3,(H2,29,33)(H,30,34);3,6-7,10-14,19H,4-5,8-9,15,26H2,1-2H3,(H,27,32)(H,28,31);3-10,12H,11,24H2,1-2H3,(H2,25,30)(H,26,31).

What are the key properties of 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?

5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 1345.60 g/mol, XLogP of 11.29, 18 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(4,4-difluorocyclohexyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 159119701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).