ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate

C10H17N3O2 — CID 139576330

IUPACethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate
SMILESCCNc1cc(C)nn1CC(=O)OCC
InChIInChI=1S/C10H17N3O2/c1-4-11-9-6-8(3)12-13(9)7-10(14)15-5-2/h6,11H,4-5,7H2,1-3H3
InChIKeyMLRWLMKHBXZHEY-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.19
Rot. Bonds5

About ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate

ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate (PubChem CID 139576330) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate
PubChem CID139576330
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate
SMILESCCNc1cc(C)nn1CC(=O)OCC
InChIInChI=1S/C10H17N3O2/c1-4-11-9-6-8(3)12-13(9)7-10(14)15-5-2/h6,11H,4-5,7H2,1-3H3
InChIKeyMLRWLMKHBXZHEY-UHFFFAOYSA-N
XLogP1.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate (CID 139576330) is ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate is CCNc1cc(C)nn1CC(=O)OCC.
What is the InChIKey of ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate?
The InChIKey is MLRWLMKHBXZHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-11-9-6-8(3)12-13(9)7-10(14)15-5-2/h6,11H,4-5,7H2,1-3H3.
What are the key properties of ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate?
ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate has a molecular weight of 211.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(ethylamino)-3-methylpyrazol-1-yl]acetate is sourced from PubChem (CID 139576330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).