ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate

C15H16F3N3O3S — CID 19267629

IUPACethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)n(C)n2)sc(C)c1C
InChIInChI=1S/C15H16F3N3O3S/c1-5-24-14(23)11-7(2)8(3)25-13(11)19-12(22)9-6-10(15(16,17)18)21(4)20-9/h6H,5H2,1-4H3,(H,19,22)
InChIKeyGEAWUBIHBOFFNM-UHFFFAOYSA-N
MW375.37 g/mol
LogP3.55
Rot. Bonds4

About ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate

ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 19267629) has the molecular formula C15H16F3N3O3S and a molecular weight of 375.37 g/mol. Its IUPAC name is ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
PubChem CID19267629
Molecular FormulaC15H16F3N3O3S
Molecular Weight375.37 g/mol
Exact Mass375.09
IUPAC Nameethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)n(C)n2)sc(C)c1C
InChIInChI=1S/C15H16F3N3O3S/c1-5-24-14(23)11-7(2)8(3)25-13(11)19-12(22)9-6-10(15(16,17)18)21(4)20-9/h6H,5H2,1-4H3,(H,19,22)
InChIKeyGEAWUBIHBOFFNM-UHFFFAOYSA-N
XLogP3.55
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 53.55
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 4,5-dimethyl-2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}thiophene-3-carboxylate
CID 573359
ethyl 2-{[(4-bromo-1-ethyl-1H-pyrazol-5-yl)carbonyl]amino}-4,5-dimethyl-3-thiophenecarboxylate
CID 995662
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
methyl 2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 841818
ethyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
CID 996760
isopropyl 4,5-dimethyl-2-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-3-thiophenecarboxylate
CID 1022829
methyl 2-({[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-4,5-dimethyl-3-thiophenecarboxylate
CID 1229825
2-[[(4-Bromo-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester
CID 2056595
diethyl 3-methyl-5-({[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}amino)-2,4-thiophenedicarboxylate
CID 1100790
ethyl 2-{[(1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 752809

Frequently Asked Questions

What is the IUPAC name of ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate (CID 19267629) is ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)n(C)n2)sc(C)c1C.
What is the InChIKey of ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is GEAWUBIHBOFFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O3S/c1-5-24-14(23)11-7(2)8(3)25-13(11)19-12(22)9-6-10(15(16,17)18)21(4)20-9/h6H,5H2,1-4H3,(H,19,22).
What are the key properties of ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate?
ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 375.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5-dimethyl-2-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 19267629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).