5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

C98H112N18O5 — CID 159810097

IUPAC5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(Cc2[nH]nc(NCc3cc(C)c(C)c(C)c3)c2C(N)=O)cc1.Cc1cc(CNc2n[nH]c(Cc3ccc(-c4ccccc4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(-n4ccnc4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(C(C)(C)C)cc3)c2C(N)=O)cc(C)c1C
InChIInChI=1S/C27H28N4O.C25H32N4O.C24H26N6O.C22H26N4O2/c1-17-13-21(14-18(2)19(17)3)16-29-27-25(26(28)32)24(30-31-27)15-20-9-11-23(12-10-20)22-7-5-4-6-8-22;1-15-11-19(12-16(2)17(15)3)14-27-24-22(23(26)30)21(28-29-24)13-18-7-9-20(10-8-18)25(4,5)6;1-15-10-19(11-16(2)17(15)3)13-27-24-22(23(25)31)21(28-29-24)12-18-4-6-20(7-5-18)30-9-8-26-14-30;1-13-9-17(10-14(2)15(13)3)12-24-22-20(21(23)27)19(25-26-22)11-16-5-7-18(28-4)8-6-16/h4-14H,15-16H2,1-3H3,(H2,28,32)(H2,29,30,31);7-12H,13-14H2,1-6H3,(H2,26,30)(H2,27,28,29);4-11,14H,12-13H2,1-3H3,(H2,25,31)(H2,27,28,29);5-10H,11-12H2,1-4H3,(H2,23,27)(H2,24,25,26)
InChIKeyNKXKNIMEKOSVJW-UHFFFAOYSA-N
MW1622.09 g/mol
LogP17.71
Rot. Bonds27

About 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide

5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (PubChem CID 159810097) has the molecular formula C98H112N18O5 and a molecular weight of 1622.09 g/mol. Its IUPAC name is 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
PubChem CID159810097
Molecular FormulaC98H112N18O5
Molecular Weight1622.09 g/mol
Exact Mass1620.91
IUPAC Name5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(Cc2[nH]nc(NCc3cc(C)c(C)c(C)c3)c2C(N)=O)cc1.Cc1cc(CNc2n[nH]c(Cc3ccc(-c4ccccc4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(-n4ccnc4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(C(C)(C)C)cc3)c2C(N)=O)cc(C)c1C
InChIInChI=1S/C27H28N4O.C25H32N4O.C24H26N6O.C22H26N4O2/c1-17-13-21(14-18(2)19(17)3)16-29-27-25(26(28)32)24(30-31-27)15-20-9-11-23(12-10-20)22-7-5-4-6-8-22;1-15-11-19(12-16(2)17(15)3)14-27-24-22(23(26)30)21(28-29-24)13-18-7-9-20(10-8-18)25(4,5)6;1-15-10-19(11-16(2)17(15)3)13-27-24-22(23(25)31)21(28-29-24)12-18-4-6-20(7-5-18)30-9-8-26-14-30;1-13-9-17(10-14(2)15(13)3)12-24-22-20(21(23)27)19(25-26-22)11-16-5-7-18(28-4)8-6-16/h4-14H,15-16H2,1-3H3,(H2,28,32)(H2,29,30,31);7-12H,13-14H2,1-6H3,(H2,26,30)(H2,27,28,29);4-11,14H,12-13H2,1-3H3,(H2,25,31)(H2,27,28,29);5-10H,11-12H2,1-4H3,(H2,23,27)(H2,24,25,26)
InChIKeyNKXKNIMEKOSVJW-UHFFFAOYSA-N
XLogP17.71
TPSA362.25 Ų
H-Bond Donors12
H-Bond Acceptors15
Rotatable Bonds27
Heavy Atoms121
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001622.09
LogP ≤ 517.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1015

Analyze 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide (CID 159810097) is 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is COc1ccc(Cc2[nH]nc(NCc3cc(C)c(C)c(C)c3)c2C(N)=O)cc1.Cc1cc(CNc2n[nH]c(Cc3ccc(-c4ccccc4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(-n4ccnc4)cc3)c2C(N)=O)cc(C)c1C.Cc1cc(CNc2n[nH]c(Cc3ccc(C(C)(C)C)cc3)c2C(N)=O)cc(C)c1C.
What is the InChIKey of 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
The InChIKey is NKXKNIMEKOSVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O.C25H32N4O.C24H26N6O.C22H26N4O2/c1-17-13-21(14-18(2)19(17)3)16-29-27-25(26(28)32)24(30-31-27)15-20-9-11-23(12-10-20)22-7-5-4-6-8-22;1-15-11-19(12-16(2)17(15)3)14-27-24-22(23(26)30)21(28-29-24)13-18-7-9-20(10-8-18)25(4,5)6;1-15-10-19(11-16(2)17(15)3)13-27-24-22(23(25)31)21(28-29-24)12-18-4-6-20(7-5-18)30-9-8-26-14-30;1-13-9-17(10-14(2)15(13)3)12-24-22-20(21(23)27)19(25-26-22)11-16-5-7-18(28-4)8-6-16/h4-14H,15-16H2,1-3H3,(H2,28,32)(H2,29,30,31);7-12H,13-14H2,1-6H3,(H2,26,30)(H2,27,28,29);4-11,14H,12-13H2,1-3H3,(H2,25,31)(H2,27,28,29);5-10H,11-12H2,1-4H3,(H2,23,27)(H2,24,25,26).
What are the key properties of 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide?
5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide has a molecular weight of 1622.09 g/mol, XLogP of 17.71, 27 rotatable bonds, 12 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-tert-butylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-imidazol-1-ylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-methoxyphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide;5-[(4-phenylphenyl)methyl]-3-[(3,4,5-trimethylphenyl)methylamino]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 159810097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).