ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate

C13H15N3O3S — CID 16952214

IUPACethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C13H15N3O3S/c1-4-19-13(18)9-5-6-20-12(9)14-11(17)10-7-8(2)16(3)15-10/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyIRQKOOFPADWAJT-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.22
Rot. Bonds4

About ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate

ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 16952214) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID16952214
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Nameethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C13H15N3O3S/c1-4-19-13(18)9-5-6-20-12(9)14-11(17)10-7-8(2)16(3)15-10/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeyIRQKOOFPADWAJT-UHFFFAOYSA-N
XLogP2.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (CID 16952214) is ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)c1cc(C)n(C)n1.
What is the InChIKey of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is IRQKOOFPADWAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-4-19-13(18)9-5-6-20-12(9)14-11(17)10-7-8(2)16(3)15-10/h5-7H,4H2,1-3H3,(H,14,17).
What are the key properties of ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 293.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 16952214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).