methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate

C11H11N3O3S — CID 6467010

IUPACmethyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccnn1C
InChIInChI=1S/C11H11N3O3S/c1-14-8(3-5-12-14)10(15)13-7-4-6-18-9(7)11(16)17-2/h3-6H,1-2H3,(H,13,15)
InChIKeyQLSKSZZXPUHOHM-UHFFFAOYSA-N
MW265.29 g/mol
LogP1.52
Rot. Bonds3

About methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 6467010) has the molecular formula C11H11N3O3S and a molecular weight of 265.29 g/mol. Its IUPAC name is methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID6467010
Molecular FormulaC11H11N3O3S
Molecular Weight265.29 g/mol
Exact Mass265.05
IUPAC Namemethyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1ccnn1C
InChIInChI=1S/C11H11N3O3S/c1-14-8(3-5-12-14)10(15)13-7-4-6-18-9(7)11(16)17-2/h3-6H,1-2H3,(H,13,15)
InChIKeyQLSKSZZXPUHOHM-UHFFFAOYSA-N
XLogP1.52
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-[(1-ethylpyrazol-3-yl)carbonylamino]thiophene-2-carboxylate
CID 6468769
methyl 4,5-dimethyl-2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}thiophene-3-carboxylate
CID 573359
methyl 3-{2-[(allylamino)carbonyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 3739207
methyl 3-{2-[(methylamino)carbonyl]-1H-pyrrol-1-yl}-2-thiophenecarboxylate
CID 3739388
Methyl 3-[(4-chloro-1-methylpyrazol-5-yl)carbonylamino]thiophene-2-carboxylate
CID 6465630
ethyl 4,5-dimethyl-2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3-thiophenecarboxylate
CID 747857
ethyl 3-(1-methyl-1H-pyrazole-5-amido)-5-phenylthiophene-2-carboxylate
CID 25284527
methyl 2-{[(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate
CID 2209266
ethyl 2-(1-ethyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate
CID 19475323
methyl 3-(1-methyl-1H-pyrazole-3-amido)-5-phenylthiophene-2-carboxylate
CID 25284689
methyl 4,5-dimethyl-2-(1-methyl-1H-pyrazole-3-amido)thiophene-3-carboxylate
CID 25284714
ethyl 3-methyl-5-(1-methyl-1H-pyrazole-3-carboxamido)thiophene-2-carboxylate
CID 42110944

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate (CID 6467010) is methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1ccnn1C.
What is the InChIKey of methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is QLSKSZZXPUHOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3S/c1-14-8(3-5-12-14)10(15)13-7-4-6-18-9(7)11(16)17-2/h3-6H,1-2H3,(H,13,15).
What are the key properties of methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 265.29 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 6467010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).