methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate

C13H16N2O2S — CID 114197753

IUPACmethyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1ccnn1C(C)C
InChIInChI=1S/C13H16N2O2S/c1-8(2)15-10(5-6-14-15)11-9(3)7-18-12(11)13(16)17-4/h5-8H,1-4H3
InChIKeyCIXLSDGXZQQEGS-UHFFFAOYSA-N
MW264.35 g/mol
LogP3.29
Rot. Bonds3

About methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate

methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate (PubChem CID 114197753) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate
PubChem CID114197753
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Namemethyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1scc(C)c1-c1ccnn1C(C)C
InChIInChI=1S/C13H16N2O2S/c1-8(2)15-10(5-6-14-15)11-9(3)7-18-12(11)13(16)17-4/h5-8H,1-4H3
InChIKeyCIXLSDGXZQQEGS-UHFFFAOYSA-N
XLogP3.29
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(furan-3-yl)-4-methylthiophene-2-carboxylate
CID 103172987
methyl 4-methyl-3-(4-methylphenyl)thiophene-2-carboxylate
CID 103172898
methyl 3-[4-(difluoromethylsulfanyl)phenyl]-4-methylthiophene-2-carboxylate
CID 103172914
methyl 3-(2,3-difluoro-4-methylphenyl)-4-methylthiophene-2-carboxylate
CID 107514017
methyl 3-(3-chlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172925
methyl 4-methyl-3-(2-sulfanylidene-1H-pyrazin-3-yl)thiophene-2-carboxylate
CID 106522822
methyl 3-(5-bromo-3-methyltriazol-4-yl)-4-methylthiophene-2-carboxylate
CID 106463173
methyl 3-(4,5-dimethyl-6-oxo-1H-pyridazin-3-yl)-4-methylthiophene-2-carboxylate
CID 106522809
[1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 3-methylthiophene-2-carboxylate
CID 47004079
methyl 3-(6-chloro-5-methylpyrimidin-4-yl)-4-methylthiophene-2-carboxylate
CID 103173159
methyl 3-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172901
methyl N-(2-propan-2-ylpyrazol-3-yl)carbamate
CID 115619372

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate (CID 114197753) is methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate is COC(=O)c1scc(C)c1-c1ccnn1C(C)C.
What is the InChIKey of methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate?
The InChIKey is CIXLSDGXZQQEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-8(2)15-10(5-6-14-15)11-9(3)7-18-12(11)13(16)17-4/h5-8H,1-4H3.
What are the key properties of methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate?
methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate has a molecular weight of 264.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(2-propan-2-ylpyrazol-3-yl)thiophene-2-carboxylate is sourced from PubChem (CID 114197753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).