5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide

C96H98F4N20O11 — CID 158153103

IUPAC5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCNc1c(C(N)=O)c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn1C1CCOC1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccc(F)c(F)c3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(N)c2C(N)=O)c(F)c1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOCC3)c(N)c2C(N)=O)c(F)c1
InChIInChI=1S/C25H21F2N5O2.C24H26FN5O3.C24H27N5O3.C23H24FN5O3/c1-14-4-2-3-5-18(14)25(34)30-13-15-6-8-16(9-7-15)22-21(24(29)33)23(28)32(31-22)17-10-11-19(26)20(27)12-17;1-14-4-2-3-5-17(14)24(32)28-13-15-6-7-18(19(25)12-15)21-20(23(27)31)22(26)30(29-21)16-8-10-33-11-9-16;1-15-5-3-4-6-19(15)24(31)27-13-16-7-9-17(10-8-16)21-20(22(25)30)23(26-2)29(28-21)18-11-12-32-14-18;1-13-4-2-3-5-16(13)23(31)27-11-14-6-7-17(18(24)10-14)20-19(22(26)30)21(25)29(28-20)15-8-9-32-12-15/h2-12H,13,28H2,1H3,(H2,29,33)(H,30,34);2-7,12,16H,8-11,13,26H2,1H3,(H2,27,31)(H,28,32);3-10,18,26H,11-14H2,1-2H3,(H2,25,30)(H,27,31);2-7,10,15H,8-9,11-12,25H2,1H3,(H2,26,30)(H,27,31)
InChIKeyFVIYWHCZDAWAKE-UHFFFAOYSA-N
MW1783.96 g/mol
LogP12.16
Rot. Bonds25

About 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide

5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 158153103) has the molecular formula C96H98F4N20O11 and a molecular weight of 1783.96 g/mol. Its IUPAC name is 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
PubChem CID158153103
Molecular FormulaC96H98F4N20O11
Molecular Weight1783.96 g/mol
Exact Mass1782.77
IUPAC Name5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
SMILESCNc1c(C(N)=O)c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn1C1CCOC1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccc(F)c(F)c3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(N)c2C(N)=O)c(F)c1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOCC3)c(N)c2C(N)=O)c(F)c1
InChIInChI=1S/C25H21F2N5O2.C24H26FN5O3.C24H27N5O3.C23H24FN5O3/c1-14-4-2-3-5-18(14)25(34)30-13-15-6-8-16(9-7-15)22-21(24(29)33)23(28)32(31-22)17-10-11-19(26)20(27)12-17;1-14-4-2-3-5-17(14)24(32)28-13-15-6-7-18(19(25)12-15)21-20(23(27)31)22(26)30(29-21)16-8-10-33-11-9-16;1-15-5-3-4-6-19(15)24(31)27-13-16-7-9-17(10-8-16)21-20(22(25)30)23(26-2)29(28-21)18-11-12-32-14-18;1-13-4-2-3-5-16(13)23(31)27-11-14-6-7-17(18(24)10-14)20-19(22(26)30)21(25)29(28-20)15-8-9-32-12-15/h2-12H,13,28H2,1H3,(H2,29,33)(H,30,34);2-7,12,16H,8-11,13,26H2,1H3,(H2,27,31)(H,28,32);3-10,18,26H,11-14H2,1-2H3,(H2,25,30)(H,27,31);2-7,10,15H,8-9,11-12,25H2,1H3,(H2,26,30)(H,27,31)
InChIKeyFVIYWHCZDAWAKE-UHFFFAOYSA-N
XLogP12.16
TPSA477.82 Ų
H-Bond Donors12
H-Bond Acceptors23
Rotatable Bonds25
Heavy Atoms131
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001783.96
LogP ≤ 512.16
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1023

Analyze 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide (CID 158153103) is 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide is CNc1c(C(N)=O)c(-c2ccc(CNC(=O)c3ccccc3C)cc2)nn1C1CCOC1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3ccc(F)c(F)c3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOC3)c(N)c2C(N)=O)c(F)c1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCOCC3)c(N)c2C(N)=O)c(F)c1.
What is the InChIKey of 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
The InChIKey is FVIYWHCZDAWAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O2.C24H26FN5O3.C24H27N5O3.C23H24FN5O3/c1-14-4-2-3-5-18(14)25(34)30-13-15-6-8-16(9-7-15)22-21(24(29)33)23(28)32(31-22)17-10-11-19(26)20(27)12-17;1-14-4-2-3-5-17(14)24(32)28-13-15-6-7-18(19(25)12-15)21-20(23(27)31)22(26)30(29-21)16-8-10-33-11-9-16;1-15-5-3-4-6-19(15)24(31)27-13-16-7-9-17(10-8-16)21-20(22(25)30)23(26-2)29(28-21)18-11-12-32-14-18;1-13-4-2-3-5-16(13)23(31)27-11-14-6-7-17(18(24)10-14)20-19(22(26)30)21(25)29(28-20)15-8-9-32-12-15/h2-12H,13,28H2,1H3,(H2,29,33)(H,30,34);2-7,12,16H,8-11,13,26H2,1H3,(H2,27,31)(H,28,32);3-10,18,26H,11-14H2,1-2H3,(H2,25,30)(H,27,31);2-7,10,15H,8-9,11-12,25H2,1H3,(H2,26,30)(H,27,31).
What are the key properties of 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?
5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 1783.96 g/mol, XLogP of 12.16, 25 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,4-difluorophenyl)-3-[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;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 158153103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).