(5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate

C12H15N3O2S — CID 55035596

IUPAC(5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate
SMILESCCc1ccc(COC(=O)Cn2ccc(N)n2)s1
InChIInChI=1S/C12H15N3O2S/c1-2-9-3-4-10(18-9)8-17-12(16)7-15-6-5-11(13)14-15/h3-6H,2,7-8H2,1H3,(H2,13,14)
InChIKeyCWHFPUBDYCAKPO-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.83
Rot. Bonds5

About (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate

(5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 55035596) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID55035596
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name(5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate
SMILESCCc1ccc(COC(=O)Cn2ccc(N)n2)s1
InChIInChI=1S/C12H15N3O2S/c1-2-9-3-4-10(18-9)8-17-12(16)7-15-6-5-11(13)14-15/h3-6H,2,7-8H2,1H3,(H2,13,14)
InChIKeyCWHFPUBDYCAKPO-UHFFFAOYSA-N
XLogP1.83
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate (CID 55035596) is (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate is CCc1ccc(COC(=O)Cn2ccc(N)n2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is CWHFPUBDYCAKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-2-9-3-4-10(18-9)8-17-12(16)7-15-6-5-11(13)14-15/h3-6H,2,7-8H2,1H3,(H2,13,14).
What are the key properties of (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate?
(5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 265.34 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)methyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 55035596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).