methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate

C8H10ClN3O3 — CID 19524971

IUPACmethyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C8H10ClN3O3/c1-15-8(14)3-10-7(13)5-12-4-6(9)2-11-12/h2,4H,3,5H2,1H3,(H,10,13)
InChIKeyXXSIVIHSKLEQIQ-UHFFFAOYSA-N
MW231.64 g/mol
LogP-0.17
Rot. Bonds4

About methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate

methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate (PubChem CID 19524971) has the molecular formula C8H10ClN3O3 and a molecular weight of 231.64 g/mol. Its IUPAC name is methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate
PubChem CID19524971
Molecular FormulaC8H10ClN3O3
Molecular Weight231.64 g/mol
Exact Mass231.04
IUPAC Namemethyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1cc(Cl)cn1
InChIInChI=1S/C8H10ClN3O3/c1-15-8(14)3-10-7(13)5-12-4-6(9)2-11-12/h2,4H,3,5H2,1H3,(H,10,13)
InChIKeyXXSIVIHSKLEQIQ-UHFFFAOYSA-N
XLogP-0.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.64
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate (CID 19524971) is methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1cc(Cl)cn1.
What is the InChIKey of methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate?
The InChIKey is XXSIVIHSKLEQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O3/c1-15-8(14)3-10-7(13)5-12-4-6(9)2-11-12/h2,4H,3,5H2,1H3,(H,10,13).
What are the key properties of methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate?
methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate has a molecular weight of 231.64 g/mol, XLogP of -0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-chloropyrazol-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 19524971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).