4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide

C71H80F3N15O7 — CID 164995497

About 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide

4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide (PubChem CID 164995497) has the molecular formula C71H80F3N15O7 and a molecular weight of 1312.51 g/mol. Its IUPAC name is 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
• PubChem CID: 164995497
• Molecular Formula: C71H80F3N15O7
• Molecular Weight: 1312.51 g/mol
• Exact Mass: 1311.63
• IUPAC Name: 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide
• SMILES: Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C(C)C(F)(F)F)c(N)c3C(N)=O)cc2)c1.Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C(C)C)c(N)c3C(N)=O)cc2)c1.Cc1ccc(OC2CC2)c(C(=O)NCc2ccc(-n3nc(C(C)C)c(N)c3C(N)=O)cc2)c1
• InChI: InChI=1S/C25H29N5O3.C23H24F3N5O2.C23H27N5O2/c1-14(2)22-21(26)23(24(27)31)30(29-22)17-7-5-16(6-8-17)13-28-25(32)19-12-15(3)4-11-20(19)33-18-9-10-18;1-12-4-5-13(2)17(10-12)22(33)29-11-15-6-8-16(9-7-15)31-20(21(28)32)18(27)19(30-31)14(3)23(24,25)26;1-13(2)20-19(24)21(22(25)29)28(27-20)17-9-7-16(8-10-17)12-26-23(30)18-11-14(3)5-6-15(18)4/h4-8,11-12,14,18H,9-10,13,26H2,1-3H3,(H2,27,31)(H,28,32);4-10,14H,11,27H2,1-3H3,(H2,28,32)(H,29,33);5-11,13H,12,24H2,1-4H3,(H2,25,29)(H,26,30)
• InChIKey: HMQBETROUOPKPS-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 357.32 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1312.51
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide?

The IUPAC name of 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide (CID 164995497) is 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide.

What is the SMILES notation for 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide?

The canonical SMILES for 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide is Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C(C)C(F)(F)F)c(N)c3C(N)=O)cc2)c1.Cc1ccc(C)c(C(=O)NCc2ccc(-n3nc(C(C)C)c(N)c3C(N)=O)cc2)c1.Cc1ccc(OC2CC2)c(C(=O)NCc2ccc(-n3nc(C(C)C)c(N)c3C(N)=O)cc2)c1.

What is the InChIKey of 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide?

The InChIKey is HMQBETROUOPKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3.C23H24F3N5O2.C23H27N5O2/c1-14(2)22-21(26)23(24(27)31)30(29-22)17-7-5-16(6-8-17)13-28-25(32)19-12-15(3)4-11-20(19)33-18-9-10-18;1-12-4-5-13(2)17(10-12)22(33)29-11-15-6-8-16(9-7-15)31-20(21(28)32)18(27)19(30-31)14(3)23(24,25)26;1-13(2)20-19(24)21(22(25)29)28(27-20)17-9-7-16(8-10-17)12-26-23(30)18-11-14(3)5-6-15(18)4/h4-8,11-12,14,18H,9-10,13,26H2,1-3H3,(H2,27,31)(H,28,32);4-10,14H,11,27H2,1-3H3,(H2,28,32)(H,29,33);5-11,13H,12,24H2,1-4H3,(H2,25,29)(H,26,30).

What are the key properties of 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide?

4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide has a molecular weight of 1312.51 g/mol, XLogP of 10.45, 20 rotatable bonds, 9 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-1-[4-[[(2-cyclopropyloxy-5-methylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-propan-2-ylpyrazole-5-carboxamide;4-amino-1-[4-[[(2,5-dimethylbenzoyl)amino]methyl]phenyl]-3-(1,1,1-trifluoropropan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 164995497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).