methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate

C12H13N3O3S — CID 6468769

IUPACmethyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCCn1ccc(C(=O)Nc2ccsc2C(=O)OC)n1
InChIInChI=1S/C12H13N3O3S/c1-3-15-6-4-9(14-15)11(16)13-8-5-7-19-10(8)12(17)18-2/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyIGERCMRVFZWECE-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.00
Rot. Bonds4

About methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 6468769) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID6468769
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Namemethyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCCn1ccc(C(=O)Nc2ccsc2C(=O)OC)n1
InChIInChI=1S/C12H13N3O3S/c1-3-15-6-4-9(14-15)11(16)13-8-5-7-19-10(8)12(17)18-2/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyIGERCMRVFZWECE-UHFFFAOYSA-N
XLogP2.00
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 3-{[(1-methyl-1H-pyrazol-5-YL)carbonyl]amino}-2-thiophenecarboxylate
CID 6467010
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
Dimethyl 5-[(1-ethylpyrazole-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1084321
methyl 2-{[(5-carbamoyl-1-methyl-1H-pyrazol-4-yl)carbamothioyl]amino}-5-methylthiophene-3-carboxylate
CID 2209266
methyl 2-(1-ethyl-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate
CID 17144320
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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate (CID 6468769) is methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate is CCn1ccc(C(=O)Nc2ccsc2C(=O)OC)n1.
What is the InChIKey of methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is IGERCMRVFZWECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-3-15-6-4-9(14-15)11(16)13-8-5-7-19-10(8)12(17)18-2/h4-7H,3H2,1-2H3,(H,13,16).
What are the key properties of methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 279.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 6468769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).