5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C98H120ClN21O10S — CID 160962587

About 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 160962587) has the molecular formula C98H120ClN21O10S and a molecular weight of 1819.69 g/mol. Its IUPAC name is 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 160962587
• Molecular Formula: C98H120ClN21O10S
• Molecular Weight: 1819.69 g/mol
• Exact Mass: 1817.89
• IUPAC Name: 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
• SMILES: Cc1cc(CNc2n[nH]c(Cc3ccc(CN4CCCC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCC(Cl)CC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCCCC4)cn3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCS(=O)(=O)CC4)cc3)c2C(N)=O)cc(C)c1O
• InChI: InChI=1S/C25H30ClN5O2.C25H31N5O2.C24H30N6O2.C24H29N5O4S/c1-15-11-18(12-16(2)23(15)32)14-28-25-22(24(27)33)21(29-30-25)13-17-3-5-20(6-4-17)31-9-7-19(26)8-10-31;1-16-11-20(12-17(2)23(16)31)14-27-25-22(24(26)32)21(28-29-25)13-18-5-7-19(8-6-18)15-30-9-3-4-10-30;1-15-10-17(11-16(2)22(15)31)13-27-24-21(23(25)32)20(28-29-24)12-18-6-7-19(14-26-18)30-8-4-3-5-9-30;1-15-11-18(12-16(2)22(15)30)14-26-24-21(23(25)31)20(27-28-24)13-17-3-5-19(6-4-17)29-7-9-34(32,33)10-8-29/h3-6,11-12,19,32H,7-10,13-14H2,1-2H3,(H2,27,33)(H2,28,29,30);5-8,11-12,31H,3-4,9-10,13-15H2,1-2H3,(H2,26,32)(H2,27,28,29);6-7,10-11,14,31H,3-5,8-9,12-13H2,1-2H3,(H2,25,32)(H2,27,28,29);3-6,11-12,30H,7-10,13-14H2,1-2H3,(H2,25,31)(H2,26,27,28)
• InChIKey: SXETZJJJDDWNAR-UHFFFAOYSA-N
• XLogP: 13.56
• TPSA: 476.11 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1819.69
LogP ≤ 5	13.56
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 160962587) is 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(CN4CCCC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCC(Cl)CC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCCCC4)cn3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCS(=O)(=O)CC4)cc3)c2C(N)=O)cc(C)c1O.

What is the InChIKey of 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

The InChIKey is SXETZJJJDDWNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O2.C25H31N5O2.C24H30N6O2.C24H29N5O4S/c1-15-11-18(12-16(2)23(15)32)14-28-25-22(24(27)33)21(29-30-25)13-17-3-5-20(6-4-17)31-9-7-19(26)8-10-31;1-16-11-20(12-17(2)23(16)31)14-27-25-22(24(26)32)21(28-29-25)13-18-5-7-19(8-6-18)15-30-9-3-4-10-30;1-15-10-17(11-16(2)22(15)31)13-27-24-21(23(25)32)20(28-29-24)12-18-6-7-19(14-26-18)30-8-4-3-5-9-30;1-15-11-18(12-16(2)22(15)30)14-26-24-21(23(25)31)20(27-28-24)13-17-3-5-19(6-4-17)29-7-9-34(32,33)10-8-29/h3-6,11-12,19,32H,7-10,13-14H2,1-2H3,(H2,27,33)(H2,28,29,30);5-8,11-12,31H,3-4,9-10,13-15H2,1-2H3,(H2,26,32)(H2,27,28,29);6-7,10-11,14,31H,3-5,8-9,12-13H2,1-2H3,(H2,25,32)(H2,27,28,29);3-6,11-12,30H,7-10,13-14H2,1-2H3,(H2,25,31)(H2,26,27,28).

What are the key properties of 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?

5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 1819.69 g/mol, XLogP of 13.56, 29 rotatable bonds, 16 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(5-piperidin-1-yl-2-pyridinyl)methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 160962587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).