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

C14H14F3N3O3S — CID 167963343

IUPACmethyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCn1cc(C(=O)Nc2cc(C)c(C(=O)OC)s2)c(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O3S/c1-4-20-6-8(11(19-20)14(15,16)17)12(21)18-9-5-7(2)10(24-9)13(22)23-3/h5-6H,4H2,1-3H3,(H,18,21)
InChIKeyGGKRQWAOESUBOM-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.33
Rot. Bonds4

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

methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate (PubChem CID 167963343) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
PubChem CID167963343
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Namemethyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
SMILESCCn1cc(C(=O)Nc2cc(C)c(C(=O)OC)s2)c(C(F)(F)F)n1
InChIInChI=1S/C14H14F3N3O3S/c1-4-20-6-8(11(19-20)14(15,16)17)12(21)18-9-5-7(2)10(24-9)13(22)23-3/h5-6H,4H2,1-3H3,(H,18,21)
InChIKeyGGKRQWAOESUBOM-UHFFFAOYSA-N
XLogP3.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-1-ethyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 146124332
1-ethyl-N-(4-methylpyrimidin-2-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 136539852
methyl 3-methyl-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]thiophene-2-carboxylate
CID 8928494
2-[4-methoxycarbonyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 121213295
ethyl 3-methyl-5-(3,3,3-trifluoropropanoylamino)thiophene-2-carboxylate
CID 43423510
ethyl 5-(methoxycarbonylamino)-3-methylthiophene-2-carboxylate
CID 43623989
ethyl 5-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate
CID 2340402
dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19474183
ethyl 5-[(2-bromo-5-fluorobenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 51217328
ethyl 5-[(2-bromo-5-methoxybenzoyl)amino]-3-methylthiophene-2-carboxylate
CID 51146239
methyl 3-methyl-5-[(3-methyl-1-benzofuran-2-carbonyl)amino]thiophene-2-carboxylate
CID 8928559
5-[(2-chlorobenzoyl)amino]-3-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 55734581

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The IUPAC name of methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate (CID 167963343) is methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The canonical SMILES for methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate is CCn1cc(C(=O)Nc2cc(C)c(C(=O)OC)s2)c(C(F)(F)F)n1.
What is the InChIKey of methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
The InChIKey is GGKRQWAOESUBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-4-20-6-8(11(19-20)14(15,16)17)12(21)18-9-5-7(2)10(24-9)13(22)23-3/h5-6H,4H2,1-3H3,(H,18,21).
What are the key properties of methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate?
methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate has a molecular weight of 361.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-ethyl-3-(trifluoromethyl)pyrazole-4-carbonyl]amino]-3-methylthiophene-2-carboxylate is sourced from PubChem (CID 167963343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).