N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate

C55H65ClN18O8 — CID 158759959

About N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate

N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate (PubChem CID 158759959) has the molecular formula C55H65ClN18O8 and a molecular weight of 1141.70 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate.

Molecular Properties

• Compound Name: N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate
• PubChem CID: 158759959
• Molecular Formula: C55H65ClN18O8
• Molecular Weight: 1141.70 g/mol
• Exact Mass: 1140.49
• IUPAC Name: N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate
• SMILES: CCN(CCCl)C(=O)c1ccccc1-n1nccn1.CCN(CCn1ccc(C(=O)OC)n1)C(=O)c1ccccc1-n1nccn1.CCN(CCn1ccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1.COC(=O)c1ccn[nH]1
• InChI: InChI=1S/C19H24N6O2.C18H20N6O3.C13H15ClN4O.C5H6N2O2/c1-4-23(13-14-24-12-9-17(22-24)19(2,3)27)18(26)15-7-5-6-8-16(15)25-20-10-11-21-25;1-3-22(12-13-23-11-8-15(21-23)18(26)27-2)17(25)14-6-4-5-7-16(14)24-19-9-10-20-24;1-2-17(10-7-14)13(19)11-5-3-4-6-12(11)18-15-8-9-16-18;1-9-5(8)4-2-3-6-7-4/h5-12,27H,4,13-14H2,1-3H3;4-11H,3,12-13H2,1-2H3;3-6,8-9H,2,7,10H2,1H3;2-3H,1H3,(H,6,7)
• InChIKey: IONSIZJXOILWFD-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 290.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 22
• Rotatable Bonds: 20
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1141.70
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate?

The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate (CID 158759959) is N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate.

What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate?

The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate is CCN(CCCl)C(=O)c1ccccc1-n1nccn1.CCN(CCn1ccc(C(=O)OC)n1)C(=O)c1ccccc1-n1nccn1.CCN(CCn1ccc(C(C)(C)O)n1)C(=O)c1ccccc1-n1nccn1.COC(=O)c1ccn[nH]1.

What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate?

The InChIKey is IONSIZJXOILWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2.C18H20N6O3.C13H15ClN4O.C5H6N2O2/c1-4-23(13-14-24-12-9-17(22-24)19(2,3)27)18(26)15-7-5-6-8-16(15)25-20-10-11-21-25;1-3-22(12-13-23-11-8-15(21-23)18(26)27-2)17(25)14-6-4-5-7-16(14)24-19-9-10-20-24;1-2-17(10-7-14)13(19)11-5-3-4-6-12(11)18-15-8-9-16-18;1-9-5(8)4-2-3-6-7-4/h5-12,27H,4,13-14H2,1-3H3;4-11H,3,12-13H2,1-2H3;3-6,8-9H,2,7,10H2,1H3;2-3H,1H3,(H,6,7).

What are the key properties of N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate?

N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate has a molecular weight of 1141.70 g/mol, XLogP of 5.43, 20 rotatable bonds, 2 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[3-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate is sourced from PubChem (CID 158759959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).