ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate

C10H17N3O2 — CID 61498488

IUPACethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cn[nH]c1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8(3)11-5-9-6-12-13-7(9)2/h6,8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyBYUJOEHJQOHNKT-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds5

About ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate

ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate (PubChem CID 61498488) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
PubChem CID61498488
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate
SMILESCCOC(=O)C(C)NCc1cn[nH]c1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)8(3)11-5-9-6-12-13-7(9)2/h6,8,11H,4-5H2,1-3H3,(H,12,13)
InChIKeyBYUJOEHJQOHNKT-UHFFFAOYSA-N
XLogP0.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
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)methylamino]propanoate?
The IUPAC name of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate (CID 61498488) is ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate.
What is the SMILES notation for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate?
The canonical SMILES for ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate is CCOC(=O)C(C)NCc1cn[nH]c1C.
What is the InChIKey of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate?
The InChIKey is BYUJOEHJQOHNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)8(3)11-5-9-6-12-13-7(9)2/h6,8,11H,4-5H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate?
ethyl 2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 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)methylamino]propanoate is sourced from PubChem (CID 61498488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).