thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate

C10H11N3O2S — CID 62113406

IUPACthiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCc2cccs2)n1
InChIInChI=1S/C10H11N3O2S/c11-9-3-4-13(12-9)6-10(14)15-7-8-2-1-5-16-8/h1-5H,6-7H2,(H2,11,12)
InChIKeyRAZJXUJDWKAVSX-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.27
Rot. Bonds4

About thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate

thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62113406) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Namethiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62113406
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Namethiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCc2cccs2)n1
InChIInChI=1S/C10H11N3O2S/c11-9-3-4-13(12-9)6-10(14)15-7-8-2-1-5-16-8/h1-5H,6-7H2,(H2,11,12)
InChIKeyRAZJXUJDWKAVSX-UHFFFAOYSA-N
XLogP1.27
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate (CID 62113406) is thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate is Nc1ccn(CC(=O)OCc2cccs2)n1.
What is the InChIKey of thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is RAZJXUJDWKAVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c11-9-3-4-13(12-9)6-10(14)15-7-8-2-1-5-16-8/h1-5H,6-7H2,(H2,11,12).
What are the key properties of thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate?
thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 237.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for thiophen-2-ylmethyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62113406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).