5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide

C73H78F4N14O9 — CID 159108628

IUPAC5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC(C(F)(F)F)C3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(C)c2C(N)=O)cc1
InChIInChI=1S/C25H26F3N5O3.C24H26FN5O3.C24H26N4O3/c1-14-4-2-3-5-18(14)24(35)31-13-15-6-8-16(9-7-15)21-20(23(30)34)22(29)33(32-21)17-10-11-36-19(12-17)25(26,27)28;1-14-4-9-17(25)11-19(14)24(32)28-12-15-5-7-16(8-6-15)21-20(23(27)31)22(26)30(29-21)18-3-2-10-33-13-18;1-15-5-3-4-6-20(15)24(30)26-13-17-7-9-18(10-8-17)22-21(23(25)29)16(2)28(27-22)19-11-12-31-14-19/h2-9,17,19H,10-13,29H2,1H3,(H2,30,34)(H,31,35);4-9,11,18H,2-3,10,12-13,26H2,1H3,(H2,27,31)(H,28,32);3-10,19H,11-14H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyKEEYIDZODGQBPW-UHFFFAOYSA-N
MW1371.51 g/mol
LogP9.87
Rot. Bonds18

About 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide

5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 159108628) has the molecular formula C73H78F4N14O9 and a molecular weight of 1371.51 g/mol. Its IUPAC name is 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID159108628
Molecular FormulaC73H78F4N14O9
Molecular Weight1371.51 g/mol
Exact Mass1370.60
IUPAC Name5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC(C(F)(F)F)C3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(C)c2C(N)=O)cc1
InChIInChI=1S/C25H26F3N5O3.C24H26FN5O3.C24H26N4O3/c1-14-4-2-3-5-18(14)24(35)31-13-15-6-8-16(9-7-15)21-20(23(30)34)22(29)33(32-21)17-10-11-36-19(12-17)25(26,27)28;1-14-4-9-17(25)11-19(14)24(32)28-12-15-5-7-16(8-6-15)21-20(23(27)31)22(26)30(29-21)18-3-2-10-33-13-18;1-15-5-3-4-6-20(15)24(30)26-13-17-7-9-18(10-8-17)22-21(23(25)29)16(2)28(27-22)19-11-12-31-14-19/h2-9,17,19H,10-13,29H2,1H3,(H2,30,34)(H,31,35);4-9,11,18H,2-3,10,12-13,26H2,1H3,(H2,27,31)(H,28,32);3-10,19H,11-14H2,1-2H3,(H2,25,29)(H,26,30)
InChIKeyKEEYIDZODGQBPW-UHFFFAOYSA-N
XLogP9.87
TPSA349.76 Ų
H-Bond Donors8
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms100
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001371.51
LogP ≤ 59.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1017

Analyze 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide with MolForge

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Related Compounds

5-Amino-3-[2-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
CID 148609350
5-Amino-3-[2,3-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 157102698
5-Amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
CID 157102699
5-Amino-3-[2-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 157183575
5-Amino-1-(1-cyclopentylethyl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
CID 157267071
5-Amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 157293602
5-Amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
CID 157424369
5-Amino-3-[3-fluoro-4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
CID 157424370
5-amino-1-(cyclohexylmethyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-3-[4-[2-hydroxy-1-[(2-methylbenzoyl)amino]ethyl]-3-methylphenyl]pyrazole-4-carboxamide;5-amino-1-cyclopentyl-N-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[[(3R)-piperidin-3-yl]methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(2,2,2-trifluoroacetyl)pyrazole-4-carboxamide
CID 157429681
5-Amino-1-(1-cyclohexylethyl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(1,1-difluoro-4-hydroxybutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-difluoro-1-methylpiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3,3-dimethylbutan-2-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157443243
5-Amino-3-[2,5-difluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide
CID 157502779
5-Amino-1-(2,2-difluoropiperidin-4-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluoropiperidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(5,5-difluoropyrrolidin-3-yl)-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide
CID 157580510

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide (CID 159108628) is 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide is Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C3CCCOC3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC(C(F)(F)F)C3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(C)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is KEEYIDZODGQBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3.C24H26FN5O3.C24H26N4O3/c1-14-4-2-3-5-18(14)24(35)31-13-15-6-8-16(9-7-15)21-20(23(30)34)22(29)33(32-21)17-10-11-36-19(12-17)25(26,27)28;1-14-4-9-17(25)11-19(14)24(32)28-12-15-5-7-16(8-6-15)21-20(23(27)31)22(26)30(29-21)18-3-2-10-33-13-18;1-15-5-3-4-6-20(15)24(30)26-13-17-7-9-18(10-8-17)22-21(23(25)29)16(2)28(27-22)19-11-12-31-14-19/h2-9,17,19H,10-13,29H2,1H3,(H2,30,34)(H,31,35);4-9,11,18H,2-3,10,12-13,26H2,1H3,(H2,27,31)(H,28,32);3-10,19H,11-14H2,1-2H3,(H2,25,29)(H,26,30).
What are the key properties of 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 1371.51 g/mol, XLogP of 9.87, 18 rotatable bonds, 8 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(oxan-3-yl)pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[2-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide;5-methyl-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 159108628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).