5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

C105H135ClN22O6 — CID 161079082

About 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 161079082) has the molecular formula C105H135ClN22O6 and a molecular weight of 1836.84 g/mol. Its IUPAC name is 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
• PubChem CID: 161079082
• Molecular Formula: C105H135ClN22O6
• Molecular Weight: 1836.84 g/mol
• Exact Mass: 1835.06
• IUPAC Name: 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
• SMILES: Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCN(C(C)C)CC4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCNCC4)c(Cl)c3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)cc(C)c1C
• InChI: InChI=1S/C28H38N6O.C27H35N5O2.C25H31ClN6O.C25H31N5O2/c1-18(2)33-10-12-34(13-11-33)24-8-6-22(7-9-24)16-25-26(27(29)35)28(32-31-25)30-17-23-14-19(3)21(5)20(4)15-23;1-16-10-22(11-17(2)20(16)5)13-29-27-25(26(28)33)24(30-31-27)12-21-6-8-23(9-7-21)32-14-18(3)34-19(4)15-32;1-15-10-19(11-16(2)17(15)3)14-29-25-23(24(27)33)21(30-31-25)13-18-4-5-22(20(26)12-18)32-8-6-28-7-9-32;1-16-12-20(13-17(2)18(16)3)15-27-25-23(24(26)31)22(28-29-25)14-19-4-6-21(7-5-19)30-8-10-32-11-9-30/h6-9,14-15,18H,10-13,16-17H2,1-5H3,(H2,29,35)(H2,30,31,32);6-11,18-19H,12-15H2,1-5H3,(H2,28,33)(H2,29,30,31);4-5,10-12,28H,6-9,13-14H2,1-3H3,(H2,27,33)(H2,29,30,31);4-7,12-13H,8-11,14-15H2,1-3H3,(H2,26,31)(H2,27,28,29)/t;18-,19+
• InChIKey: UFRCJXXYJTYHLY-PYSPQWEMSA-N
• XLogP: 15.59
• TPSA: 381.89 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1836.84
LogP ≤ 5	15.59
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	20

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-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 161079082) is 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCN(C(C)C)CC4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCNCC4)c(Cl)c3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(N4CCOCC4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(N4C[C@@H](C)O[C@@H](C)C4)cc3)c2C(N)=O)cc(C)c1C.

What is the InChIKey of 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?

The InChIKey is UFRCJXXYJTYHLY-PYSPQWEMSA-N. The full InChI is InChI=1S/C28H38N6O.C27H35N5O2.C25H31ClN6O.C25H31N5O2/c1-18(2)33-10-12-34(13-11-33)24-8-6-22(7-9-24)16-25-26(27(29)35)28(32-31-25)30-17-23-14-19(3)21(5)20(4)15-23;1-16-10-22(11-17(2)20(16)5)13-29-27-25(26(28)33)24(30-31-27)12-21-6-8-23(9-7-21)32-14-18(3)34-19(4)15-32;1-15-10-19(11-16(2)17(15)3)14-29-25-23(24(27)33)21(30-31-25)13-18-4-5-22(20(26)12-18)32-8-6-28-7-9-32;1-16-12-20(13-17(2)18(16)3)15-27-25-23(24(26)31)22(28-29-25)14-19-4-6-21(7-5-19)30-8-10-32-11-9-30/h6-9,14-15,18H,10-13,16-17H2,1-5H3,(H2,29,35)(H2,30,31,32);6-11,18-19H,12-15H2,1-5H3,(H2,28,33)(H2,29,30,31);4-5,10-12,28H,6-9,13-14H2,1-3H3,(H2,27,33)(H2,29,30,31);4-7,12-13H,8-11,14-15H2,1-3H3,(H2,26,31)(H2,27,28,29)/t;18-,19+;;.

What are the key properties of 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?

5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 1836.84 g/mol, XLogP of 15.59, 29 rotatable bonds, 13 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-chloro-4-piperazin-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-morpholin-4-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 161079082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).