methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate

C18H23N3O4 — CID 11290915

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(CCn1nc(-c2ccccc2)cc1C)CC(=O)OC
InChIInChI=1S/C18H23N3O4/c1-14-11-16(15-7-5-4-6-8-15)19-21(14)10-9-20(12-17(22)24-2)13-18(23)25-3/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyCXLOJHPVRQJNPE-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.51
Rot. Bonds8

About methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate (PubChem CID 11290915) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate
PubChem CID11290915
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate
SMILESCOC(=O)CN(CCn1nc(-c2ccccc2)cc1C)CC(=O)OC
InChIInChI=1S/C18H23N3O4/c1-14-11-16(15-7-5-4-6-8-15)19-21(14)10-9-20(12-17(22)24-2)13-18(23)25-3/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyCXLOJHPVRQJNPE-UHFFFAOYSA-N
XLogP1.51
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate (CID 11290915) is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate is COC(=O)CN(CCn1nc(-c2ccccc2)cc1C)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate?
The InChIKey is CXLOJHPVRQJNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-14-11-16(15-7-5-4-6-8-15)19-21(14)10-9-20(12-17(22)24-2)13-18(23)25-3/h4-8,11H,9-10,12-13H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate has a molecular weight of 345.40 g/mol, XLogP of 1.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(5-methyl-3-phenylpyrazol-1-yl)ethyl]amino]acetate is sourced from PubChem (CID 11290915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).