ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate

C10H16N4O3 — CID 54948839

IUPACethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cn[nH]c1C
InChIInChI=1S/C10H16N4O3/c1-3-17-9(15)6-12-10(16)11-4-8-5-13-14-7(8)2/h5H,3-4,6H2,1-2H3,(H,13,14)(H2,11,12,16)
InChIKeyWPFMQXCQCNYPJX-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.08
Rot. Bonds5

About ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate

ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate (PubChem CID 54948839) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate
PubChem CID54948839
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Nameethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate
SMILESCCOC(=O)CNC(=O)NCc1cn[nH]c1C
InChIInChI=1S/C10H16N4O3/c1-3-17-9(15)6-12-10(16)11-4-8-5-13-14-7(8)2/h5H,3-4,6H2,1-2H3,(H,13,14)(H2,11,12,16)
InChIKeyWPFMQXCQCNYPJX-UHFFFAOYSA-N
XLogP0.08
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate?
The IUPAC name of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate (CID 54948839) is ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate.
What is the SMILES notation for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate?
The canonical SMILES for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate is CCOC(=O)CNC(=O)NCc1cn[nH]c1C.
What is the InChIKey of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate?
The InChIKey is WPFMQXCQCNYPJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-17-9(15)6-12-10(16)11-4-8-5-13-14-7(8)2/h5H,3-4,6H2,1-2H3,(H,13,14)(H2,11,12,16).
What are the key properties of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate?
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate has a molecular weight of 240.26 g/mol, XLogP of 0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoylamino]acetate is sourced from PubChem (CID 54948839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).