5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate

C79H75N15O8 — CID 159784016

IUPAC5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate
SMILESCOC(=O)c1ccc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)cc1.Cc1ccc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccccc3C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C27H25N5O4.2C26H25N5O2/c1-16-5-3-4-6-21(16)26(34)30-15-17-7-9-18(10-8-17)23-22(25(29)33)24(28)32(31-23)20-13-11-19(12-14-20)27(35)36-2;1-16-7-3-5-9-20(16)26(33)29-15-18-11-13-19(14-12-18)23-22(25(28)32)24(27)31(30-23)21-10-6-4-8-17(21)2;1-16-7-13-20(14-8-16)31-24(27)22(25(28)32)23(30-31)19-11-9-18(10-12-19)15-29-26(33)21-6-4-3-5-17(21)2/h3-14H,15,28H2,1-2H3,(H2,29,33)(H,30,34);2*3-14H,15,27H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyNHSNBPYSFFRQCU-UHFFFAOYSA-N
MW1362.57 g/mol
LogP10.78
Rot. Bonds19

About 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate

5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate (PubChem CID 159784016) has the molecular formula C79H75N15O8 and a molecular weight of 1362.57 g/mol. Its IUPAC name is 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate.

Molecular Properties

Compound Name5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate
PubChem CID159784016
Molecular FormulaC79H75N15O8
Molecular Weight1362.57 g/mol
Exact Mass1361.59
IUPAC Name5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate
SMILESCOC(=O)c1ccc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)cc1.Cc1ccc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccccc3C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C27H25N5O4.2C26H25N5O2/c1-16-5-3-4-6-21(16)26(34)30-15-17-7-9-18(10-8-17)23-22(25(29)33)24(28)32(31-23)20-13-11-19(12-14-20)27(35)36-2;1-16-7-3-5-9-20(16)26(33)29-15-18-11-13-19(14-12-18)23-22(25(28)32)24(27)31(30-23)21-10-6-4-8-17(21)2;1-16-7-13-20(14-8-16)31-24(27)22(25(28)32)23(30-31)19-11-9-18(10-12-19)15-29-26(33)21-6-4-3-5-17(21)2/h3-14H,15,28H2,1-2H3,(H2,29,33)(H,30,34);2*3-14H,15,27H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyNHSNBPYSFFRQCU-UHFFFAOYSA-N
XLogP10.78
TPSA374.39 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001362.57
LogP ≤ 510.78
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate with MolForge

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Related Compounds

5-amino-1-(1-methoxypropan-2-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 159211655
5-amino-1-(2-hydroxyethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 147719984
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161120119
5-amino-1-butan-2-yl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248258
5-amino-1-(3-fluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;ethyl 5-amino-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxylate
CID 163687177
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
5-amino-1-cyclobutyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129248209
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;ethane;toluene
CID 145332683
methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 46601601
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;formaldehyde
CID 145332772
5-amino-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 129248012

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate?
The IUPAC name of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate (CID 159784016) is 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate.
What is the SMILES notation for 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate?
The canonical SMILES for 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate is COC(=O)c1ccc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)cc1.Cc1ccc(-n2nc(-c3ccc(CNC(=O)c4ccccc4C)cc3)c(C(N)=O)c2N)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccccc3C)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate?
The InChIKey is NHSNBPYSFFRQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4.2C26H25N5O2/c1-16-5-3-4-6-21(16)26(34)30-15-17-7-9-18(10-8-17)23-22(25(29)33)24(28)32(31-23)20-13-11-19(12-14-20)27(35)36-2;1-16-7-3-5-9-20(16)26(33)29-15-18-11-13-19(14-12-18)23-22(25(28)32)24(27)31(30-23)21-10-6-4-8-17(21)2;1-16-7-13-20(14-8-16)31-24(27)22(25(28)32)23(30-31)19-11-9-18(10-12-19)15-29-26(33)21-6-4-3-5-17(21)2/h3-14H,15,28H2,1-2H3,(H2,29,33)(H,30,34);2*3-14H,15,27H2,1-2H3,(H2,28,32)(H,29,33).
What are the key properties of 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate?
5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate has a molecular weight of 1362.57 g/mol, XLogP of 10.78, 19 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylphenyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(4-methylphenyl)pyrazole-4-carboxamide;methyl 4-[5-amino-4-carbamoyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazol-1-yl]benzoate is sourced from PubChem (CID 159784016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).