ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate

C12H14N4O3S — CID 61118419

IUPACethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C12H14N4O3S/c1-2-19-12(18)9-3-4-20-11(9)15-10(17)7-16-6-8(13)5-14-16/h3-6H,2,7,13H2,1H3,(H,15,17)
InChIKeyQHWJRTKQPNNWIR-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.34
Rot. Bonds5

About ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate

ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate (PubChem CID 61118419) has the molecular formula C12H14N4O3S and a molecular weight of 294.34 g/mol. Its IUPAC name is ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
PubChem CID61118419
Molecular FormulaC12H14N4O3S
Molecular Weight294.34 g/mol
Exact Mass294.08
IUPAC Nameethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C12H14N4O3S/c1-2-19-12(18)9-3-4-20-11(9)15-10(17)7-16-6-8(13)5-14-16/h3-6H,2,7,13H2,1H3,(H,15,17)
InChIKeyQHWJRTKQPNNWIR-UHFFFAOYSA-N
XLogP1.34
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate (CID 61118419) is ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)Cn1cc(N)cn1.
What is the InChIKey of ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate?
The InChIKey is QHWJRTKQPNNWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3S/c1-2-19-12(18)9-3-4-20-11(9)15-10(17)7-16-6-8(13)5-14-16/h3-6H,2,7,13H2,1H3,(H,15,17).
What are the key properties of ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate?
ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate has a molecular weight of 294.34 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-aminopyrazol-1-yl)acetyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 61118419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).