ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate

C13H15N3O3S — CID 42110944

IUPACethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccn(C)n2)cc1C
InChIInChI=1S/C13H15N3O3S/c1-4-19-13(18)11-8(2)7-10(20-11)14-12(17)9-5-6-16(3)15-9/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeySBJYAPVMWIACTD-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.22
Rot. Bonds4

About ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate

ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 42110944) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
PubChem CID42110944
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Nameethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)c2ccn(C)n2)cc1C
InChIInChI=1S/C13H15N3O3S/c1-4-19-13(18)11-8(2)7-10(20-11)14-12(17)9-5-6-16(3)15-9/h5-7H,4H2,1-3H3,(H,14,17)
InChIKeySBJYAPVMWIACTD-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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Related Compounds

methyl 2-{[(1-methyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4668907
Methyl 3-{[(1-methyl-1H-pyrazol-5-YL)carbonyl]amino}-2-thiophenecarboxylate
CID 6467010
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
2-ethyl 4-isopropyl 5-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1001206
diethyl 5-{[3-(1-ethyl-5-methyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1001549
Ethyl 4,5-dimethyl-2-[[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 1111137
ethyl 2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2056597
2-ethyl 4-propyl 5-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 1770002
methyl 2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 841818
2-[[(4-Bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
CID 2056595
2-methyl 4-propyl 5-{[3-(1,5-dimethyl-1H-pyrazol-4-yl)acryloyl]amino}-3-methyl-2,4-thiophenedicarboxylate
CID 6272498

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate (CID 42110944) is ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate is CCOC(=O)c1sc(NC(=O)c2ccn(C)n2)cc1C.
What is the InChIKey of ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is SBJYAPVMWIACTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-4-19-13(18)11-8(2)7-10(20-11)14-12(17)9-5-6-16(3)15-9/h5-7H,4H2,1-3H3,(H,14,17).
What are the key properties of ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate?
ethyl 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-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 3-methyl-5-[(1-methylpyrazole-3-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 42110944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).