5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide

C95H118N22O11S — CID 162178031

About 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 162178031) has the molecular formula C95H118N22O11S and a molecular weight of 1776.20 g/mol. Its IUPAC name is 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 162178031
• Molecular Formula: C95H118N22O11S
• Molecular Weight: 1776.20 g/mol
• Exact Mass: 1774.91
• IUPAC Name: 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
• SMILES: Cc1cc(CNc2n[nH]c(Cc3ccc(CN4CCOCC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N(C)C)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCC(N5CCCC5)CC4)nc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(S(N)(=O)=O)cc3)c2C(N)=O)cc(C)c1O
• InChI: InChI=1S/C28H37N7O2.C25H31N5O3.C22H27N5O2.C20H23N5O4S/c1-18-13-21(14-19(2)26(18)36)17-31-28-25(27(29)37)23(32-33-28)15-20-5-6-24(30-16-20)35-11-7-22(8-12-35)34-9-3-4-10-34;1-16-11-20(12-17(2)23(16)31)14-27-25-22(24(26)32)21(28-29-25)13-18-3-5-19(6-4-18)15-30-7-9-33-10-8-30;1-13-9-16(10-14(2)20(13)28)12-24-22-19(21(23)29)18(25-26-22)11-15-5-7-17(8-6-15)27(3)4;1-11-7-14(8-12(2)18(11)26)10-23-20-17(19(21)27)16(24-25-20)9-13-3-5-15(6-4-13)30(22,28)29/h5-6,13-14,16,22,36H,3-4,7-12,15,17H2,1-2H3,(H2,29,37)(H2,31,32,33);3-6,11-12,31H,7-10,13-15H2,1-2H3,(H2,26,32)(H2,27,28,29);5-10,28H,11-12H2,1-4H3,(H2,23,29)(H2,24,25,26);3-8,26H,9-10H2,1-2H3,(H2,21,27)(H2,22,28,29)(H2,23,24,25)
• InChIKey: ZOQONTYGEQMQPD-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 511.36 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 24
• Rotatable Bonds: 30
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1776.20
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 162178031) is 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(CN4CCOCC4)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N(C)C)cc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCC(N5CCCC5)CC4)nc3)c2C(N)=O)cc(C)c1O.Cc1cc(CNc2n[nH]c(Cc3ccc(S(N)(=O)=O)cc3)c2C(N)=O)cc(C)c1O.

What is the InChIKey of 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?

The InChIKey is ZOQONTYGEQMQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O2.C25H31N5O3.C22H27N5O2.C20H23N5O4S/c1-18-13-21(14-19(2)26(18)36)17-31-28-25(27(29)37)23(32-33-28)15-20-5-6-24(30-16-20)35-11-7-22(8-12-35)34-9-3-4-10-34;1-16-11-20(12-17(2)23(16)31)14-27-25-22(24(26)32)21(28-29-25)13-18-3-5-19(6-4-18)15-30-7-9-33-10-8-30;1-13-9-16(10-14(2)20(13)28)12-24-22-19(21(23)29)18(25-26-22)11-15-5-7-17(8-6-15)27(3)4;1-11-7-14(8-12(2)18(11)26)10-23-20-17(19(21)27)16(24-25-20)9-13-3-5-15(6-4-13)30(22,28)29/h5-6,13-14,16,22,36H,3-4,7-12,15,17H2,1-2H3,(H2,29,37)(H2,31,32,33);3-6,11-12,31H,7-10,13-15H2,1-2H3,(H2,26,32)(H2,27,28,29);5-10,28H,11-12H2,1-4H3,(H2,23,29)(H2,24,25,26);3-8,26H,9-10H2,1-2H3,(H2,21,27)(H2,22,28,29)(H2,23,24,25).

What are the key properties of 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?

5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 1776.20 g/mol, XLogP of 11.14, 30 rotatable bonds, 17 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-(dimethylamino)phenyl]methyl]-3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[[6-(4-pyrrolidin-1-ylpiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-4-carboxamide;3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-5-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 162178031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).