ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate

C10H17N3O2 — CID 43647499

IUPACethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(CN)c1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)6-13-8(3)9(5-11)7(2)12-13/h4-6,11H2,1-3H3
InChIKeyGLXVMRDARZIJBU-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.52
Rot. Bonds4

About ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate

ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate (PubChem CID 43647499) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate
PubChem CID43647499
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nameethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c(CN)c1C
InChIInChI=1S/C10H17N3O2/c1-4-15-10(14)6-13-8(3)9(5-11)7(2)12-13/h4-6,11H2,1-3H3
InChIKeyGLXVMRDARZIJBU-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate (CID 43647499) is ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate is CCOC(=O)Cn1nc(C)c(CN)c1C.
What is the InChIKey of ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate?
The InChIKey is GLXVMRDARZIJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-15-10(14)6-13-8(3)9(5-11)7(2)12-13/h4-6,11H2,1-3H3.
What are the key properties of ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate?
ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate has a molecular weight of 211.26 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate is sourced from PubChem (CID 43647499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).