5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

C72H75F3N16O9 — CID 158475313

About 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide

5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 158475313) has the molecular formula C72H75F3N16O9 and a molecular weight of 1365.49 g/mol. Its IUPAC name is 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• PubChem CID: 158475313
• Molecular Formula: C72H75F3N16O9
• Molecular Weight: 1365.49 g/mol
• Exact Mass: 1364.59
• IUPAC Name: 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
• SMILES: COCOCCn1nc(-c2ccc(CNC(=O)c3ccccc3C)cc2)c(C(N)=O)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cc(C(F)(F)F)ccn3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(CC3(C)COC3)c(N)c2C(N)=O)cc1
• InChI: InChI=1S/C25H21F3N6O2.C24H27N5O3.C23H27N5O4/c1-14-4-2-3-5-18(14)24(36)32-13-15-6-8-16(9-7-15)21-20(23(30)35)22(29)34(33-21)19-12-17(10-11-31-19)25(26,27)28;1-15-5-3-4-6-18(15)23(31)27-11-16-7-9-17(10-8-16)20-19(22(26)30)21(25)29(28-20)12-24(2)13-32-14-24;1-15-5-3-4-6-18(15)23(30)26-13-16-7-9-17(10-8-16)20-19(22(25)29)21(24)28(27-20)11-12-32-14-31-2/h2-12H,13,29H2,1H3,(H2,30,35)(H,32,36);3-10H,11-14,25H2,1-2H3,(H2,26,30)(H,27,31);3-10H,11-14,24H2,1-2H3,(H2,25,29)(H,26,30)
• InChIKey: HGVZWDOAIOQYNG-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 388.67 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1365.49
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide (CID 158475313) is 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is COCOCCn1nc(-c2ccc(CNC(=O)c3ccccc3C)cc2)c(C(N)=O)c1N.Cc1ccccc1C(=O)NCc1ccc(-c2nn(-c3cc(C(F)(F)F)ccn3)c(N)c2C(N)=O)cc1.Cc1ccccc1C(=O)NCc1ccc(-c2nn(CC3(C)COC3)c(N)c2C(N)=O)cc1.

What is the InChIKey of 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

The InChIKey is HGVZWDOAIOQYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N6O2.C24H27N5O3.C23H27N5O4/c1-14-4-2-3-5-18(14)24(36)32-13-15-6-8-16(9-7-15)21-20(23(30)35)22(29)34(33-21)19-12-17(10-11-31-19)25(26,27)28;1-15-5-3-4-6-18(15)23(31)27-11-16-7-9-17(10-8-16)20-19(22(26)30)21(25)29(28-20)12-24(2)13-32-14-24;1-15-5-3-4-6-18(15)23(30)26-13-16-7-9-17(10-8-16)20-19(22(25)29)21(24)28(27-20)11-12-32-14-31-2/h2-12H,13,29H2,1H3,(H2,30,35)(H,32,36);3-10H,11-14,25H2,1-2H3,(H2,26,30)(H,27,31);3-10H,11-14,24H2,1-2H3,(H2,25,29)(H,26,30).

What are the key properties of 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide?

5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 1365.49 g/mol, XLogP of 8.47, 23 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-[2-(methoxymethoxy)ethyl]-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[(3-methyloxetan-3-yl)methyl]pyrazole-4-carboxamide;5-amino-3-[4-[[(2-methylbenzoyl)amino]methyl]phenyl]-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 158475313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).