dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

C16H19N3O5S — CID 19534359

IUPACdimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)C(C)n2cc(C)cn2)c(C(=O)OC)c1C
InChIInChI=1S/C16H19N3O5S/c1-8-6-17-19(7-8)10(3)13(20)18-14-11(15(21)23-4)9(2)12(25-14)16(22)24-5/h6-7,10H,1-5H3,(H,18,20)
InChIKeyAFFPMYGZKWKUJF-UHFFFAOYSA-N
MW365.41 g/mol
LogP2.33
Rot. Bonds5

About dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate (PubChem CID 19534359) has the molecular formula C16H19N3O5S and a molecular weight of 365.41 g/mol. Its IUPAC name is dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
PubChem CID19534359
Molecular FormulaC16H19N3O5S
Molecular Weight365.41 g/mol
Exact Mass365.10
IUPAC Namedimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(NC(=O)C(C)n2cc(C)cn2)c(C(=O)OC)c1C
InChIInChI=1S/C16H19N3O5S/c1-8-6-17-19(7-8)10(3)13(20)18-14-11(15(21)23-4)9(2)12(25-14)16(22)24-5/h6-7,10H,1-5H3,(H,18,20)
InChIKeyAFFPMYGZKWKUJF-UHFFFAOYSA-N
XLogP2.33
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

dimethyl 5-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19533937
2-[4-[(5-ethoxycarbonyl-3-methoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502936
dimethyl 5-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19524547
propyl 2-[2-(4-bromopyrazol-1-yl)propanoylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
CID 19537525
2-O-methyl 4-O-propyl 5-[2-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19533945
2-O-ethyl 4-O-methyl 3-methyl-5-[3-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate
CID 19559592
2-O-methyl 4-O-propyl 5-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19535405
methyl 2-[2-(4-chloropyrazol-1-yl)propanoylamino]-5-methylthiophene-3-carboxylate
CID 19538491
diethyl 5-[2-(4-bromo-3-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19533334
methyl 5-carbamoyl-2-[2-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-4-methylthiophene-3-carboxylate
CID 19528202
dimethyl 3-methyl-5-[(2,3,4,5,6-pentafluorobenzoyl)amino]thiophene-2,4-dicarboxylate
CID 3332536
diethyl 5-[2-(4-bromo-5-methylpyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate
CID 19535378

Frequently Asked Questions

What is the IUPAC name of dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate (CID 19534359) is dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate is COC(=O)c1sc(NC(=O)C(C)n2cc(C)cn2)c(C(=O)OC)c1C.
What is the InChIKey of dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate?
The InChIKey is AFFPMYGZKWKUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5S/c1-8-6-17-19(7-8)10(3)13(20)18-14-11(15(21)23-4)9(2)12(25-14)16(22)24-5/h6-7,10H,1-5H3,(H,18,20).
What are the key properties of dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate?
dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate has a molecular weight of 365.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 3-methyl-5-[2-(4-methylpyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate is sourced from PubChem (CID 19534359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).