N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone

C57H69FN14O7 — CID 165075810

About N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone

N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone (PubChem CID 165075810) has the molecular formula C57H69FN14O7 and a molecular weight of 1081.27 g/mol. Its IUPAC name is N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone.

Molecular Properties

• Compound Name: N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone
• PubChem CID: 165075810
• Molecular Formula: C57H69FN14O7
• Molecular Weight: 1081.27 g/mol
• Exact Mass: 1080.55
• IUPAC Name: N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone
• SMILES: CC(=O)c1c(C)c(N2CCOCC2)nn1-c1ccc(CN)cc1.CC(=O)c1c(N)c(N2CCOCC2)nn1-c1ccc(CN)cc1.CC(=O)c1c(N)c(N2CCOCC2)nn1-c1ccc(CNC(=O)c2cc(F)ccc2C)cc1
• InChI: InChI=1S/C24H26FN5O3.C17H22N4O2.C16H21N5O2/c1-15-3-6-18(25)13-20(15)24(32)27-14-17-4-7-19(8-5-17)30-22(16(2)31)21(26)23(28-30)29-9-11-33-12-10-29;1-12-16(13(2)22)21(15-5-3-14(11-18)4-6-15)19-17(12)20-7-9-23-10-8-20;1-11(22)15-14(18)16(20-6-8-23-9-7-20)19-21(15)13-4-2-12(10-17)3-5-13/h3-8,13H,9-12,14,26H2,1-2H3,(H,27,32);3-6H,7-11,18H2,1-2H3;2-5H,6-10,17-18H2,1H3
• InChIKey: UHAJPMZRJOTPDP-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 275.26 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1081.27
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone?

The IUPAC name of N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone (CID 165075810) is N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone.

What is the SMILES notation for N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone?

The canonical SMILES for N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone is CC(=O)c1c(C)c(N2CCOCC2)nn1-c1ccc(CN)cc1.CC(=O)c1c(N)c(N2CCOCC2)nn1-c1ccc(CN)cc1.CC(=O)c1c(N)c(N2CCOCC2)nn1-c1ccc(CNC(=O)c2cc(F)ccc2C)cc1.

What is the InChIKey of N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone?

The InChIKey is UHAJPMZRJOTPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O3.C17H22N4O2.C16H21N5O2/c1-15-3-6-18(25)13-20(15)24(32)27-14-17-4-7-19(8-5-17)30-22(16(2)31)21(26)23(28-30)29-9-11-33-12-10-29;1-12-16(13(2)22)21(15-5-3-14(11-18)4-6-15)19-17(12)20-7-9-23-10-8-20;1-11(22)15-14(18)16(20-6-8-23-9-7-20)19-21(15)13-4-2-12(10-17)3-5-13/h3-8,13H,9-12,14,26H2,1-2H3,(H,27,32);3-6H,7-11,18H2,1-2H3;2-5H,6-10,17-18H2,1H3.

What are the key properties of N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone?

N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone has a molecular weight of 1081.27 g/mol, XLogP of 5.50, 14 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(5-acetyl-4-amino-3-morpholin-4-ylpyrazol-1-yl)phenyl]methyl]-5-fluoro-2-methylbenzamide;1-[4-amino-1-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpyrazol-5-yl]ethanone;1-[1-[4-(aminomethyl)phenyl]-4-methyl-3-morpholin-4-ylpyrazol-5-yl]ethanone is sourced from PubChem (CID 165075810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).