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

C73H74F3N15O8 — CID 157180132

About 5-amino-1-(3,4-difluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]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-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide (PubChem CID 157180132) has the molecular formula C73H74F3N15O8 and a molecular weight of 1346.49 g/mol. Its IUPAC name is 5-amino-1-(3,4-difluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-(3,4-difluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
• PubChem CID: 157180132
• Molecular Formula: C73H74F3N15O8
• Molecular Weight: 1346.49 g/mol
• Exact Mass: 1345.58
• IUPAC Name: 5-amino-1-(3,4-difluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide
• SMILES: 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(C3CCOCC3F)c(N)c2C(N)=O)cc1
• InChI: InChI=1S/C25H21F2N5O2.C24H26FN5O3.C24H27N5O3/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)28-12-15-6-8-16(9-7-15)21-20(23(27)31)22(26)30(29-21)19-10-11-33-13-18(19)25;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/h2-12H,13,28H2,1H3,(H2,29,33)(H,30,34);2-9,18-19H,10-13,26H2,1H3,(H2,27,31)(H,28,32);3-10,18,26H,11-14H2,1-2H3,(H2,25,30)(H,27,31)
• InChIKey: AOLZOOAJLKLQBI-UHFFFAOYSA-N
• XLogP: 9.40
• TPSA: 352.56 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1346.49
LogP ≤ 5	9.40
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	17

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-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]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-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide (CID 157180132) is 5-amino-1-(3,4-difluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]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-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]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-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]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(C3CCOCC3F)c(N)c2C(N)=O)cc1.

What is the InChIKey of 5-amino-1-(3,4-difluorophenyl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide?

The InChIKey is AOLZOOAJLKLQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N5O2.C24H26FN5O3.C24H27N5O3/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)28-12-15-6-8-16(9-7-15)21-20(23(27)31)22(26)30(29-21)19-10-11-33-13-18(19)25;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/h2-12H,13,28H2,1H3,(H2,29,33)(H,30,34);2-9,18-19H,10-13,26H2,1H3,(H2,27,31)(H,28,32);3-10,18,26H,11-14H2,1-2H3,(H2,25,30)(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-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]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-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide has a molecular weight of 1346.49 g/mol, XLogP of 9.40, 19 rotatable bonds, 9 hydrogen bond donors, and 17 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-1-(3-fluorooxan-4-yl)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-(methylamino)-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-(oxolan-3-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 157180132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).