ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate

C9H15N3O2 — CID 71756434

IUPACethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(N)cn1
InChIInChI=1S/C9H15N3O2/c1-4-14-8(13)9(2,3)12-6-7(10)5-11-12/h5-6H,4,10H2,1-3H3
InChIKeyJOJGMFNKAFSGNT-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.76
Rot. Bonds3

About ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate

ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate (PubChem CID 71756434) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate
PubChem CID71756434
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Nameethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)n1cc(N)cn1
InChIInChI=1S/C9H15N3O2/c1-4-14-8(13)9(2,3)12-6-7(10)5-11-12/h5-6H,4,10H2,1-3H3
InChIKeyJOJGMFNKAFSGNT-UHFFFAOYSA-N
XLogP0.76
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate (CID 71756434) is ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)n1cc(N)cn1.
What is the InChIKey of ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate?
The InChIKey is JOJGMFNKAFSGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-4-14-8(13)9(2,3)12-6-7(10)5-11-12/h5-6H,4,10H2,1-3H3.
What are the key properties of ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate?
ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate has a molecular weight of 197.24 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminopyrazol-1-yl)-2-methylpropanoate is sourced from PubChem (CID 71756434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).