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

C12H13N3O3S — CID 17144320

IUPACmethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCn1ccc(C(=O)Nc2sccc2C(=O)OC)n1
InChIInChI=1S/C12H13N3O3S/c1-3-15-6-4-9(14-15)10(16)13-11-8(5-7-19-11)12(17)18-2/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyWBXWCOCYICQJIL-UHFFFAOYSA-N
MW279.32 g/mol
LogP2.00
Rot. Bonds4

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

methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 17144320) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID17144320
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Namemethyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCn1ccc(C(=O)Nc2sccc2C(=O)OC)n1
InChIInChI=1S/C12H13N3O3S/c1-3-15-6-4-9(14-15)10(16)13-11-8(5-7-19-11)12(17)18-2/h4-7H,3H2,1-2H3,(H,13,16)
InChIKeyWBXWCOCYICQJIL-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-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
ethyl 4,5-dimethyl-2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}-3-thiophenecarboxylate
CID 747857
methyl 2-(1,5-dimethyl-1H-pyrazole-3-carboxamido)thiophene-3-carboxylate
CID 16952213
N-(3-carbamoylthiophen-2-yl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 17144361
N-(3-carbamoylthiophen-2-yl)-1-methyl-1H-pyrazole-5-carboxamide
CID 17144363
ethyl 2-(1-ethyl-1H-pyrazole-5-carboxamido)-4,5-dimethylthiophene-3-carboxylate
CID 19475323
methyl 4,5-dimethyl-2-(1-methyl-1H-pyrazole-3-amido)thiophene-3-carboxylate
CID 25284714
1-methyl-N-[3-(methylcarbamoyl)thiophen-2-yl]-1H-pyrazole-3-carboxamide
CID 25843657
N-(3-carbamoyl-2-thienyl)-1-ethyl-5-pyrazolecarboxamide
CID 25854599
1-ethyl-N-[3-(methylcarbamoyl)thiophen-2-yl]-1H-pyrazole-5-carboxamide
CID 25854600
ethyl 2-(1-ethyl-3-methyl-1H-pyrazole-5-amido)thiophene-3-carboxylate
CID 25854630

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate (CID 17144320) is methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is CCn1ccc(C(=O)Nc2sccc2C(=O)OC)n1.
What is the InChIKey of methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is WBXWCOCYICQJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-3-15-6-4-9(14-15)10(16)13-11-8(5-7-19-11)12(17)18-2/h4-7H,3H2,1-2H3,(H,13,16).
What are the key properties of methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate?
methyl 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-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 2-[(1-ethylpyrazole-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 17144320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).