dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate

C56H67ClCs2N18O11 — CID 159990495

IUPACdicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate
SMILESCCN(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.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C19H24N6O2.C18H20N6O3.C13H15ClN4O.C5H6N2O2.CH2O3.2Cs.H/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;2-1-4-3;;;/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);1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyIYHFEHSLQVGJIF-UHFFFAOYSA-M
MW1469.53 g/mol
LogP-2.01
Rot. Bonds21

About dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate

dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate (PubChem CID 159990495) has the molecular formula C56H67ClCs2N18O11 and a molecular weight of 1469.53 g/mol. Its IUPAC name is dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate.

Molecular Properties

Compound Namedicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate
PubChem CID159990495
Molecular FormulaC56H67ClCs2N18O11
Molecular Weight1469.53 g/mol
Exact Mass1468.30
IUPAC Namedicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate
SMILESCCN(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.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C19H24N6O2.C18H20N6O3.C13H15ClN4O.C5H6N2O2.CH2O3.2Cs.H/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;2-1-4-3;;;/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);1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyIYHFEHSLQVGJIF-UHFFFAOYSA-M
XLogP-2.01
TPSA339.57 Ų
H-Bond Donors2
H-Bond Acceptors25
Rotatable Bonds21
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001469.53
LogP ≤ 5-2.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate with MolForge

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Related Compounds

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
dicesium;magnesium;carbanide;N-(2-chloroethyl)-N-ethyl-2-(triazol-2-yl)benzamide;ethyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-4-carboxylate;N-ethyl-N-(2-hydroxyethyl)-2-(triazol-2-yl)benzamide;N-ethyl-N-[2-[4-(2-hydroxypropan-2-yl)pyrazol-1-yl]ethyl]-2-(triazol-2-yl)benzamide;ethyl 1H-pyrazole-5-carboxylate;hydride;methanesulfonyl chloride;oxido formate;bromide
CID 160083634
dilithium;1-bromo-2-chloroethane;tert-butyl 2-(aminomethyl)morpholine-4-carboxylate;4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 4-[[3-[1-(2-chloroethyl)pyrazol-4-yl]benzoyl]amino]-1-methylpyrazole-3-carboxylate;methyl 1-methyl-4-[[3-(1H-pyrazol-4-yl)benzoyl]amino]pyrazole-3-carboxylate;hydroxide
CID 161147309

Frequently Asked Questions

What is the IUPAC name of dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate?
The IUPAC name of dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate (CID 159990495) is dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate.
What is the SMILES notation for dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate?
The canonical SMILES for dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate 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.O=CO[O-].[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate?
The InChIKey is IYHFEHSLQVGJIF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H24N6O2.C18H20N6O3.C13H15ClN4O.C5H6N2O2.CH2O3.2Cs.H/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;2-1-4-3;;;/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);1,3H;;;/q;;;;;2*+1;-1/p-1.
What are the key properties of dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate?
dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate has a molecular weight of 1469.53 g/mol, XLogP of -2.01, 21 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;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;hydride;methyl 1-[2-[ethyl-[2-(triazol-2-yl)benzoyl]amino]ethyl]pyrazole-3-carboxylate;methyl 1H-pyrazole-5-carboxylate;oxido formate is sourced from PubChem (CID 159990495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).