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

C71H73FN14O7 — CID 163687177

IUPAC5-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
SMILESCCOC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccc(F)c3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C26H30N4O3.C25H22FN5O2.C20H21N5O2/c1-3-33-26(32)22-23(29-30(24(22)27)20-9-5-6-10-20)19-14-12-18(13-15-19)16-28-25(31)21-11-7-4-8-17(21)2;1-15-5-2-3-8-20(15)25(33)29-14-16-9-11-17(12-10-16)22-21(24(28)32)23(27)31(30-22)19-7-4-6-18(26)13-19;1-12-5-3-4-6-15(12)20(27)23-11-13-7-9-14(10-8-13)17-16(19(22)26)18(21)25(2)24-17/h4,7-8,11-15,20H,3,5-6,9-10,16,27H2,1-2H3,(H,28,31);2-13H,14,27H2,1H3,(H2,28,32)(H,29,33);3-10H,11,21H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyJPWASSKTWOMDGQ-UHFFFAOYSA-N
MW1253.45 g/mol
LogP10.27
Rot. Bonds18

About 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

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 (PubChem CID 163687177) has the molecular formula C71H73FN14O7 and a molecular weight of 1253.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID163687177
Molecular FormulaC71H73FN14O7
Molecular Weight1253.45 g/mol
Exact Mass1252.58
IUPAC Name5-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
SMILESCCOC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccc(F)c3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C)c(N)c2C(N)=O)cc1
InChIInChI=1S/C26H30N4O3.C25H22FN5O2.C20H21N5O2/c1-3-33-26(32)22-23(29-30(24(22)27)20-9-5-6-10-20)19-14-12-18(13-15-19)16-28-25(31)21-11-7-4-8-17(21)2;1-15-5-2-3-8-20(15)25(33)29-14-16-9-11-17(12-10-16)22-21(24(28)32)23(27)31(30-22)19-7-4-6-18(26)13-19;1-12-5-3-4-6-15(12)20(27)23-11-13-7-9-14(10-8-13)17-16(19(22)26)18(21)25(2)24-17/h4,7-8,11-15,20H,3,5-6,9-10,16,27H2,1-2H3,(H,28,31);2-13H,14,27H2,1H3,(H2,28,32)(H,29,33);3-10H,11,21H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyJPWASSKTWOMDGQ-UHFFFAOYSA-N
XLogP10.27
TPSA331.30 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001253.45
LogP ≤ 510.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 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 with MolForge

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Related Compounds

5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161120119
5-amino-1-cyclohexyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 129247863
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;formaldehyde
CID 145332772
5-amino-1-cyclopentyl-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methyloxolan-3-yl)pyrazole-4-carboxamide;5-chloro-1-cyclopentyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157084318
5-amino-1-cyclopentyl-3-[4-[[(2-methoxybenzoyl)amino]methyl]-3-methylphenyl]pyrazole-4-carboxamide
CID 129248030
5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 161467433
5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 157183576
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
5-amino-1-(4-hydroxycyclohexyl)-3-[4-[[(2-methoxybenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 163600712
5-amino-1-cyclopentyl-3-[2-methyl-4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-4-yl)pyrazole-4-carboxamide;5-amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 157183574
5-amino-1-cyclopentyl-3-[4-[[(2,5-dimethylbenzoyl)amino]methyl]-3-fluorophenyl]pyrazole-4-carboxamide
CID 157405663

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn(C2CCCC2)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cccc(F)c3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C)c(N)c2C(N)=O)cc1.
What is the InChIKey of 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?
The InChIKey is JPWASSKTWOMDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3.C25H22FN5O2.C20H21N5O2/c1-3-33-26(32)22-23(29-30(24(22)27)20-9-5-6-10-20)19-14-12-18(13-15-19)16-28-25(31)21-11-7-4-8-17(21)2;1-15-5-2-3-8-20(15)25(33)29-14-16-9-11-17(12-10-16)22-21(24(28)32)23(27)31(30-22)19-7-4-6-18(26)13-19;1-12-5-3-4-6-15(12)20(27)23-11-13-7-9-14(10-8-13)17-16(19(22)26)18(21)25(2)24-17/h4,7-8,11-15,20H,3,5-6,9-10,16,27H2,1-2H3,(H,28,31);2-13H,14,27H2,1H3,(H2,28,32)(H,29,33);3-10H,11,21H2,1-2H3,(H2,22,26)(H,23,27).
What are the key properties of 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?
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 has a molecular weight of 1253.45 g/mol, XLogP of 10.27, 18 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163687177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).