methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate

C9H13N3O3 — CID 19281100

IUPACmethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate
SMILESCCn1cc(C(=O)NCC(=O)OC)cn1
InChIInChI=1S/C9H13N3O3/c1-3-12-6-7(4-11-12)9(14)10-5-8(13)15-2/h4,6H,3,5H2,1-2H3,(H,10,14)
InChIKeyUBWLLKNDWLIPQE-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.19
Rot. Bonds4

About methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate

methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate (PubChem CID 19281100) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate
PubChem CID19281100
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate
SMILESCCn1cc(C(=O)NCC(=O)OC)cn1
InChIInChI=1S/C9H13N3O3/c1-3-12-6-7(4-11-12)9(14)10-5-8(13)15-2/h4,6H,3,5H2,1-2H3,(H,10,14)
InChIKeyUBWLLKNDWLIPQE-UHFFFAOYSA-N
XLogP-0.19
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate (CID 19281100) is methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate is CCn1cc(C(=O)NCC(=O)OC)cn1.
What is the InChIKey of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is UBWLLKNDWLIPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-12-6-7(4-11-12)9(14)10-5-8(13)15-2/h4,6H,3,5H2,1-2H3,(H,10,14).
What are the key properties of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate?
methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate has a molecular weight of 211.22 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 19281100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).