ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate

C18H31N3O5 — CID 66958319

IUPACethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(CC(C)(C)NC(=O)OC(C)(C)C)n(CCOC)n1
InChIInChI=1S/C18H31N3O5/c1-8-25-15(22)14-11-13(21(20-14)9-10-24-7)12-18(5,6)19-16(23)26-17(2,3)4/h11H,8-10,12H2,1-7H3,(H,19,23)
InChIKeyAIWMCZMQOHIKTJ-UHFFFAOYSA-N
MW369.46 g/mol
LogP2.55
Rot. Bonds8

About ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate

ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate (PubChem CID 66958319) has the molecular formula C18H31N3O5 and a molecular weight of 369.46 g/mol. Its IUPAC name is ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate
PubChem CID66958319
Molecular FormulaC18H31N3O5
Molecular Weight369.46 g/mol
Exact Mass369.23
IUPAC Nameethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(CC(C)(C)NC(=O)OC(C)(C)C)n(CCOC)n1
InChIInChI=1S/C18H31N3O5/c1-8-25-15(22)14-11-13(21(20-14)9-10-24-7)12-18(5,6)19-16(23)26-17(2,3)4/h11H,8-10,12H2,1-7H3,(H,19,23)
InChIKeyAIWMCZMQOHIKTJ-UHFFFAOYSA-N
XLogP2.55
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate (CID 66958319) is ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(CC(C)(C)NC(=O)OC(C)(C)C)n(CCOC)n1.
What is the InChIKey of ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate?
The InChIKey is AIWMCZMQOHIKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O5/c1-8-25-15(22)14-11-13(21(20-14)9-10-24-7)12-18(5,6)19-16(23)26-17(2,3)4/h11H,8-10,12H2,1-7H3,(H,19,23).
What are the key properties of ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate?
ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate has a molecular weight of 369.46 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methoxyethyl)-5-[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]pyrazole-3-carboxylate is sourced from PubChem (CID 66958319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).