5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

C92H98F8N20O9 — CID 158487715

IUPAC5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCOC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(CC(C)C)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(CCC(F)(F)F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C25H28FN5O3.C23H26FN5O2.C22H21F4N5O2.C22H23F2N5O2/c1-14-3-8-19(26)11-20(14)25(33)29-12-16-4-6-17(7-5-16)22-21(24(28)32)23(27)31(30-22)15(2)18-9-10-34-13-18;1-13(2)12-29-21(25)19(22(26)30)20(28-29)16-7-5-15(6-8-16)11-27-23(31)18-10-17(24)9-4-14(18)3;1-12-2-7-15(23)10-16(12)21(33)29-11-13-3-5-14(6-4-13)18-17(20(28)32)19(27)31(30-18)9-8-22(24,25)26;1-11(2)29-20(25)18(21(26)30)19(28-29)13-5-6-14(17(24)8-13)10-27-22(31)16-9-15(23)7-4-12(16)3/h3-8,11,15,18H,9-10,12-13,27H2,1-2H3,(H2,28,32)(H,29,33);4-10,13H,11-12,25H2,1-3H3,(H2,26,30)(H,27,31);2-7,10H,8-9,11,27H2,1H3,(H2,28,32)(H,29,33);4-9,11H,10,25H2,1-3H3,(H2,26,30)(H,27,31)
InChIKeyHIHPZMZHFYXOKD-UHFFFAOYSA-N
MW1779.91 g/mol
LogP13.36
Rot. Bonds27

About 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide

5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (PubChem CID 158487715) has the molecular formula C92H98F8N20O9 and a molecular weight of 1779.91 g/mol. Its IUPAC name is 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
PubChem CID158487715
Molecular FormulaC92H98F8N20O9
Molecular Weight1779.91 g/mol
Exact Mass1778.77
IUPAC Name5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide
SMILESCc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCOC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(CC(C)C)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(CCC(F)(F)F)c(N)c2C(N)=O)cc1
InChIInChI=1S/C25H28FN5O3.C23H26FN5O2.C22H21F4N5O2.C22H23F2N5O2/c1-14-3-8-19(26)11-20(14)25(33)29-12-16-4-6-17(7-5-16)22-21(24(28)32)23(27)31(30-22)15(2)18-9-10-34-13-18;1-13(2)12-29-21(25)19(22(26)30)20(28-29)16-7-5-15(6-8-16)11-27-23(31)18-10-17(24)9-4-14(18)3;1-12-2-7-15(23)10-16(12)21(33)29-11-13-3-5-14(6-4-13)18-17(20(28)32)19(27)31(30-18)9-8-22(24,25)26;1-11(2)29-20(25)18(21(26)30)19(28-29)13-5-6-14(17(24)8-13)10-27-22(31)16-9-15(23)7-4-12(16)3/h3-8,11,15,18H,9-10,12-13,27H2,1-2H3,(H2,28,32)(H,29,33);4-10,13H,11-12,25H2,1-3H3,(H2,26,30)(H,27,31);2-7,10H,8-9,11,27H2,1H3,(H2,28,32)(H,29,33);4-9,11H,10,25H2,1-3H3,(H2,26,30)(H,27,31)
InChIKeyHIHPZMZHFYXOKD-UHFFFAOYSA-N
XLogP13.36
TPSA473.35 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds27
Heavy Atoms129
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001779.91
LogP ≤ 513.36
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide (CID 158487715) is 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C)c(N)c2C(N)=O)cc1F.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(C(C)C3CCOC3)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(CC(C)C)c(N)c2C(N)=O)cc1.Cc1ccc(F)cc1C(=O)NCc1ccc(-c2nn(CCC(F)(F)F)c(N)c2C(N)=O)cc1.
What is the InChIKey of 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
The InChIKey is HIHPZMZHFYXOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3.C23H26FN5O2.C22H21F4N5O2.C22H23F2N5O2/c1-14-3-8-19(26)11-20(14)25(33)29-12-16-4-6-17(7-5-16)22-21(24(28)32)23(27)31(30-22)15(2)18-9-10-34-13-18;1-13(2)12-29-21(25)19(22(26)30)20(28-29)16-7-5-15(6-8-16)11-27-23(31)18-10-17(24)9-4-14(18)3;1-12-2-7-15(23)10-16(12)21(33)29-11-13-3-5-14(6-4-13)18-17(20(28)32)19(27)31(30-18)9-8-22(24,25)26;1-11(2)29-20(25)18(21(26)30)19(28-29)13-5-6-14(17(24)8-13)10-27-22(31)16-9-15(23)7-4-12(16)3/h3-8,11,15,18H,9-10,12-13,27H2,1-2H3,(H2,28,32)(H,29,33);4-10,13H,11-12,25H2,1-3H3,(H2,26,30)(H,27,31);2-7,10H,8-9,11,27H2,1H3,(H2,28,32)(H,29,33);4-9,11H,10,25H2,1-3H3,(H2,26,30)(H,27,31).
What are the key properties of 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide?
5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide has a molecular weight of 1779.91 g/mol, XLogP of 13.36, 27 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[3-fluoro-4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(2-methylpropyl)pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-[1-(oxolan-3-yl)ethyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(5-fluoro-2-methylbenzoyl)amino]methyl]phenyl]-1-(3,3,3-trifluoropropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 158487715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).