[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate

C12H14N2O3S — CID 96534914

IUPAC[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate
SMILESCOc1ccsc1C(=O)O[C@@H](C)Cn1cccn1
InChIInChI=1S/C12H14N2O3S/c1-9(8-14-6-3-5-13-14)17-12(15)11-10(16-2)4-7-18-11/h3-7,9H,8H2,1-2H3/t9-/m0/s1
InChIKeyLGIPYQRGGPKLMD-VIFPVBQESA-N
MW266.32 g/mol
LogP2.20
Rot. Bonds5

About [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate

[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate (PubChem CID 96534914) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Name[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate
PubChem CID96534914
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate
SMILESCOc1ccsc1C(=O)O[C@@H](C)Cn1cccn1
InChIInChI=1S/C12H14N2O3S/c1-9(8-14-6-3-5-13-14)17-12(15)11-10(16-2)4-7-18-11/h3-7,9H,8H2,1-2H3/t9-/m0/s1
InChIKeyLGIPYQRGGPKLMD-VIFPVBQESA-N
XLogP2.20
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-cyanothiophene-2-carboxylate
CID 96995933
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate
CID 71974732
[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate
CID 97088036
[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate
CID 97136672
pent-4-yn-2-yl 3-methoxythiophene-2-carboxylate
CID 71974764
[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
CID 96995871
1-pyrazol-1-ylpropan-2-yl 4-nitrobenzoate
CID 71974723
[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 96534927
1-pyrazol-1-ylpropan-2-yl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 71859589
1-(3-methoxythiophen-2-yl)butan-1-one
CID 81118922
methyl (2R)-2-methyl-3-pyrazol-1-ylpropanoate
CID 42574632

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate?
The IUPAC name of [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate (CID 96534914) is [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate.
What is the SMILES notation for [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate?
The canonical SMILES for [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate is COc1ccsc1C(=O)O[C@@H](C)Cn1cccn1.
What is the InChIKey of [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate?
The InChIKey is LGIPYQRGGPKLMD-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-9(8-14-6-3-5-13-14)17-12(15)11-10(16-2)4-7-18-11/h3-7,9H,8H2,1-2H3/t9-/m0/s1.
What are the key properties of [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate?
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate has a molecular weight of 266.32 g/mol, XLogP of 2.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate is sourced from PubChem (CID 96534914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).