ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate

C13H16N4O3S — CID 63618199

IUPACethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H16N4O3S/c1-3-20-13(19)9-6-8(2)21-12(9)15-11(18)7-17-5-4-10(14)16-17/h4-6H,3,7H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyRBJIQIZFCMMNMW-UHFFFAOYSA-N
MW308.36 g/mol
LogP1.65
Rot. Bonds5

About ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate

ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate (PubChem CID 63618199) has the molecular formula C13H16N4O3S and a molecular weight of 308.36 g/mol. Its IUPAC name is ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
PubChem CID63618199
Molecular FormulaC13H16N4O3S
Molecular Weight308.36 g/mol
Exact Mass308.09
IUPAC Nameethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)Cn1ccc(N)n1
InChIInChI=1S/C13H16N4O3S/c1-3-20-13(19)9-6-8(2)21-12(9)15-11(18)7-17-5-4-10(14)16-17/h4-6H,3,7H2,1-2H3,(H2,14,16)(H,15,18)
InChIKeyRBJIQIZFCMMNMW-UHFFFAOYSA-N
XLogP1.65
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate (CID 63618199) is ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)Cn1ccc(N)n1.
What is the InChIKey of ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate?
The InChIKey is RBJIQIZFCMMNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3S/c1-3-20-13(19)9-6-8(2)21-12(9)15-11(18)7-17-5-4-10(14)16-17/h4-6H,3,7H2,1-2H3,(H2,14,16)(H,15,18).
What are the key properties of ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate?
ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate has a molecular weight of 308.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate is sourced from PubChem (CID 63618199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).