5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C99H103FN20O12 — CID 162024109

About 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 162024109) has the molecular formula C99H103FN20O12 and a molecular weight of 1784.04 g/mol. Its IUPAC name is 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 162024109
• Molecular Formula: C99H103FN20O12
• Molecular Weight: 1784.04 g/mol
• Exact Mass: 1782.80
• IUPAC Name: 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide
• SMILES: Cc1cc(CNc2n[nH]c(Cc3ccc(-c4ccn[nH]4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(NC(=O)c4ccccc4CO)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3cccc(CO)c3)c2C(N)=O)cc(C)c1O
• InChI: InChI=1S/C28H29N5O4.C27H26FN5O3.C23H24N6O2.C21H24N4O3/c1-16-11-19(12-17(2)25(16)35)14-30-27-24(26(29)36)23(32-33-27)13-18-7-9-21(10-8-18)31-28(37)22-6-4-3-5-20(22)15-34;1-15-11-18(12-16(2)24(15)34)14-30-26-23(25(29)35)22(32-33-26)13-17-3-9-21(10-4-17)31-27(36)19-5-7-20(28)8-6-19;1-13-9-16(10-14(2)21(13)30)12-25-23-20(22(24)31)19(28-29-23)11-15-3-5-17(6-4-15)18-7-8-26-27-18;1-12-6-16(7-13(2)19(12)27)10-23-21-18(20(22)28)17(24-25-21)9-14-4-3-5-15(8-14)11-26/h3-12,34-35H,13-15H2,1-2H3,(H2,29,36)(H,31,37)(H2,30,32,33);3-12,34H,13-14H2,1-2H3,(H2,29,35)(H,31,36)(H2,30,32,33);3-10,30H,11-12H2,1-2H3,(H2,24,31)(H,26,27)(H2,25,28,29);3-8,26-27H,9-11H2,1-2H3,(H2,22,28)(H2,23,24,25)
• InChIKey: YVDFLFNLGJCMNN-UHFFFAOYSA-N
• XLogP: 14.15
• TPSA: 543.46 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 21
• Rotatable Bonds: 31
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1784.04
LogP ≤ 5	14.15
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 162024109) is 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(-c4ccn[nH]4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(NC(=O)c4ccccc4CO)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3cccc(CO)c3)c2C(N)=O)cc(C)c1O.

What is the InChIKey of 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

The InChIKey is YVDFLFNLGJCMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4.C27H26FN5O3.C23H24N6O2.C21H24N4O3/c1-16-11-19(12-17(2)25(16)35)14-30-27-24(26(29)36)23(32-33-27)13-18-7-9-21(10-8-18)31-28(37)22-6-4-3-5-20(22)15-34;1-15-11-18(12-16(2)24(15)34)14-30-26-23(25(29)35)22(32-33-26)13-17-3-9-21(10-4-17)31-27(36)19-5-7-20(28)8-6-19;1-13-9-16(10-14(2)21(13)30)12-25-23-20(22(24)31)19(28-29-23)11-15-3-5-17(6-4-15)18-7-8-26-27-18;1-12-6-16(7-13(2)19(12)27)10-23-21-18(20(22)28)17(24-25-21)9-14-4-3-5-15(8-14)11-26/h3-12,34-35H,13-15H2,1-2H3,(H2,29,36)(H,31,37)(H2,30,32,33);3-12,34H,13-14H2,1-2H3,(H2,29,35)(H,31,36)(H2,30,32,33);3-10,30H,11-12H2,1-2H3,(H2,24,31)(H,26,27)(H2,25,28,29);3-8,26-27H,9-11H2,1-2H3,(H2,22,28)(H2,23,24,25).

What are the key properties of 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 1784.04 g/mol, XLogP of 14.15, 31 rotatable bonds, 21 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-[[2-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162024109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).