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

C14H14F3N3O3S — CID 4766608

IUPACmethyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)nn2C)sc(C)c1C
InChIInChI=1S/C14H14F3N3O3S/c1-6-7(2)24-12(10(6)13(22)23-4)18-11(21)8-5-9(14(15,16)17)19-20(8)3/h5H,1-4H3,(H,18,21)
InChIKeyWMFNZHLCAOBRNH-UHFFFAOYSA-N
MW361.35 g/mol
LogP3.16
Rot. Bonds3

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

methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate (PubChem CID 4766608) has the molecular formula C14H14F3N3O3S and a molecular weight of 361.35 g/mol. Its IUPAC name is methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
PubChem CID4766608
Molecular FormulaC14H14F3N3O3S
Molecular Weight361.35 g/mol
Exact Mass361.07
IUPAC Namemethyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate
SMILESCOC(=O)c1c(NC(=O)c2cc(C(F)(F)F)nn2C)sc(C)c1C
InChIInChI=1S/C14H14F3N3O3S/c1-6-7(2)24-12(10(6)13(22)23-4)18-11(21)8-5-9(14(15,16)17)19-20(8)3/h5H,1-4H3,(H,18,21)
InChIKeyWMFNZHLCAOBRNH-UHFFFAOYSA-N
XLogP3.16
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4,5-dimethyl-2-[[2-[[(2S)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]amino]-2-oxoacetyl]amino]thiophene-3-carboxylate
CID 51852293
5-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494180
N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 4766382
methyl 4,5-dimethyl-2-[[1-[4-(1-methylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]pyrazole-3-carbonyl]amino]thiophene-3-carboxylate
CID 19585264
butan-2-yl 2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19477514
3-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498171
methyl 4,5-dimethyl-2-[[2,2,3,3,4,4,5,5-octafluoro-6-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-6-oxohexanoyl]amino]thiophene-3-carboxylate
CID 4155191
1-methyl-N-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 19477475
methyl 2-[(5-fluoro-2-methylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 33075863
ethyl 3-[(5-carbamoyl-3-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 19267042
methyl 2-[(2,5-dimethylfuran-3-carbonyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 16649201
methyl 2-[(2,4-dimethylbenzoyl)amino]-4,5-dimethylthiophene-3-carboxylate
CID 7287254

Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate (CID 4766608) is methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate is COC(=O)c1c(NC(=O)c2cc(C(F)(F)F)nn2C)sc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate?
The InChIKey is WMFNZHLCAOBRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O3S/c1-6-7(2)24-12(10(6)13(22)23-4)18-11(21)8-5-9(14(15,16)17)19-20(8)3/h5H,1-4H3,(H,18,21).
What are the key properties of methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate?
methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate has a molecular weight of 361.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-2-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiophene-3-carboxylate is sourced from PubChem (CID 4766608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).