ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate

C10H17N3O2 — CID 164570659

IUPACethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1ccc(CN)n1
InChIInChI=1S/C10H17N3O2/c1-4-15-9(14)10(2,3)13-6-5-8(7-11)12-13/h5-6H,4,7,11H2,1-3H3
InChIKeyHCFKIYFXULKWPB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.64
Rot. Bonds4

About ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate

ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate (PubChem CID 164570659) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate
PubChem CID164570659
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1ccc(CN)n1
InChIInChI=1S/C10H17N3O2/c1-4-15-9(14)10(2,3)13-6-5-8(7-11)12-13/h5-6H,4,7,11H2,1-3H3
InChIKeyHCFKIYFXULKWPB-UHFFFAOYSA-N
XLogP0.64
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate?
The IUPAC name of ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate (CID 164570659) is ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate?
The canonical SMILES for ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)n1ccc(CN)n1.
What is the InChIKey of ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate?
The InChIKey is HCFKIYFXULKWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-9(14)10(2,3)13-6-5-8(7-11)12-13/h5-6H,4,7,11H2,1-3H3.
What are the key properties of ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate?
ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate has a molecular weight of 211.26 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(aminomethyl)pyrazol-1-yl]-2-methylpropanoate is sourced from PubChem (CID 164570659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).