5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide

C123H139F3N26O12 — CID 157429681

About 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide

5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide (PubChem CID 157429681) has the molecular formula C123H139F3N26O12 and a molecular weight of 2230.63 g/mol. Its IUPAC name is 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide
• PubChem CID: 157429681
• Molecular Formula: C123H139F3N26O12
• Molecular Weight: 2230.63 g/mol
• Exact Mass: 2229.10
• IUPAC Name: 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NC(CO)c1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1C.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C(=O)C(F)(F)F)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(CC3CCCCC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C[C@@H]3CCCNC3)c(N)c2C(N)=O)cc1
• InChI: InChI=1S/C26H31N5O3.C26H31N5O2.C25H30N6O2.C25H29N5O2.C21H18F3N5O3/c1-15-7-3-6-10-20(15)26(34)29-21(14-32)19-12-11-17(13-16(19)2)23-22(25(28)33)24(27)31(30-23)18-8-4-5-9-18;1-17-7-5-6-10-21(17)26(33)29-15-18-11-13-20(14-12-18)23-22(25(28)32)24(27)31(30-23)16-19-8-3-2-4-9-19;1-16-5-2-3-7-20(16)25(33)29-14-17-8-10-19(11-9-17)22-21(24(27)32)23(26)31(30-22)15-18-6-4-12-28-13-18;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;1-11-4-2-3-5-14(11)19(31)27-10-12-6-8-13(9-7-12)16-15(18(26)30)17(25)29(28-16)20(32)21(22,23)24/h3,6-7,10-13,18,21,32H,4-5,8-9,14,27H2,1-2H3,(H2,28,33)(H,29,34);5-7,10-14,19H,2-4,8-9,15-16,27H2,1H3,(H2,28,32)(H,29,33);2-3,5,7-11,18,28H,4,6,12-15,26H2,1H3,(H2,27,32)(H,29,33);3,6-7,10-14,19H,4-5,8-9,15,26H2,1-2H3,(H,27,32)(H,28,31);2-9H,10,25H2,1H3,(H2,26,30)(H,27,31)/t;;18-;;/m..1../s1
• InChIKey: BQJNYJNXIGHOAN-CFIZWZCASA-N
• XLogP: 16.46
• TPSA: 615.49 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2230.63
LogP ≤ 5	16.46
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide (CID 157429681) is 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide is CNC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NC(CO)c1ccc(-c2nn(C3CCCC3)c(N)c2C(N)=O)cc1C.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C(=O)C(F)(F)F)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(CC3CCCCC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C[C@@H]3CCCNC3)c(N)c2C(N)=O)cc1.

What is the InChIKey of 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide?

The InChIKey is BQJNYJNXIGHOAN-CFIZWZCASA-N. The full InChI is InChI=1S/C26H31N5O3.C26H31N5O2.C25H30N6O2.C25H29N5O2.C21H18F3N5O3/c1-15-7-3-6-10-20(15)26(34)29-21(14-32)19-12-11-17(13-16(19)2)23-22(25(28)33)24(27)31(30-23)18-8-4-5-9-18;1-17-7-5-6-10-21(17)26(33)29-15-18-11-13-20(14-12-18)23-22(25(28)32)24(27)31(30-23)16-19-8-3-2-4-9-19;1-16-5-2-3-7-20(16)25(33)29-14-17-8-10-19(11-9-17)22-21(24(27)32)23(26)31(30-22)15-18-6-4-12-28-13-18;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;1-11-4-2-3-5-14(11)19(31)27-10-12-6-8-13(9-7-12)16-15(18(26)30)17(25)29(28-16)20(32)21(22,23)24/h3,6-7,10-13,18,21,32H,4-5,8-9,14,27H2,1-2H3,(H2,28,33)(H,29,34);5-7,10-14,19H,2-4,8-9,15-16,27H2,1H3,(H2,28,32)(H,29,33);2-3,5,7-11,18,28H,4,6,12-15,26H2,1H3,(H2,27,32)(H,29,33);3,6-7,10-14,19H,4-5,8-9,15,26H2,1-2H3,(H,27,32)(H,28,31);2-9H,10,25H2,1H3,(H2,26,30)(H,27,31)/t;;18-;;/m..1../s1.

What are the key properties of 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide?

5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide has a molecular weight of 2230.63 g/mol, XLogP of 16.46, 32 rotatable bonds, 17 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide is sourced from PubChem (CID 157429681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).