[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate

C11H12N2O2S — CID 96995944

IUPAC[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
SMILESC[C@H](Cn1cccn1)OC(=O)c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-9(8-13-6-3-5-12-13)15-11(14)10-4-2-7-16-10/h2-7,9H,8H2,1H3/t9-/m1/s1
InChIKeyVIUQGXWZXLZDDW-SECBINFHSA-N
MW236.30 g/mol
LogP2.19
Rot. Bonds4

About [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate

[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate (PubChem CID 96995944) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
PubChem CID96995944
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
SMILESC[C@H](Cn1cccn1)OC(=O)c1cccs1
InChIInChI=1S/C11H12N2O2S/c1-9(8-13-6-3-5-12-13)15-11(14)10-4-2-7-16-10/h2-7,9H,8H2,1H3/t9-/m1/s1
InChIKeyVIUQGXWZXLZDDW-SECBINFHSA-N
XLogP2.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate
CID 71974732
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate
CID 96534914
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-cyanothiophene-2-carboxylate
CID 96995933
[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
CID 96995871
1-aminopropan-2-yl thiophene-2-carboxylate
CID 175287982
[(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
2-methyl-3-pyrazol-1-yl-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]propan-1-one
CID 131950339
4-pyrazol-1-yl-1-thiophen-2-ylbutan-1-one
CID 43793295
1-pyrazol-1-ylpropan-2-yl 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 71859589
ethoxycarbonyl thiophene-2-carboxylate
CID 174341165
[(2R)-1-[benzyl(methyl)amino]propan-2-yl] thiophene-2-carboxylate
CID 1089166

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate (CID 96995944) is [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate is C[C@H](Cn1cccn1)OC(=O)c1cccs1.
What is the InChIKey of [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate?
The InChIKey is VIUQGXWZXLZDDW-SECBINFHSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-9(8-13-6-3-5-12-13)15-11(14)10-4-2-7-16-10/h2-7,9H,8H2,1H3/t9-/m1/s1.
What are the key properties of [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate?
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate has a molecular weight of 236.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 96995944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).