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

C12H13N3O3S — CID 16952213

IUPACmethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C12H13N3O3S/c1-7-6-9(14-15(7)2)10(16)13-11-8(4-5-19-11)12(17)18-3/h4-6H,1-3H3,(H,13,16)
InChIKeyOYCKRBDBHCKTGG-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.83
Rot. Bonds3

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

methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 16952213) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID16952213
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Namemethyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCOC(=O)c1ccsc1NC(=O)c1cc(C)n(C)n1
InChIInChI=1S/C12H13N3O3S/c1-7-6-9(14-15(7)2)10(16)13-11-8(4-5-19-11)12(17)18-3/h4-6H,1-3H3,(H,13,16)
InChIKeyOYCKRBDBHCKTGG-UHFFFAOYSA-N
XLogP1.83
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (CID 16952213) is methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is COC(=O)c1ccsc1NC(=O)c1cc(C)n(C)n1.
What is the InChIKey of methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is OYCKRBDBHCKTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-7-6-9(14-15(7)2)10(16)13-11-8(4-5-19-11)12(17)18-3/h4-6H,1-3H3,(H,13,16).
What are the key properties of methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 16952213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).