1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate

C11H12N2O2S — CID 71974732

IUPAC1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate
SMILESCC(Cn1cccn1)OC(=O)c1ccsc1
InChIInChI=1S/C11H12N2O2S/c1-9(7-13-5-2-4-12-13)15-11(14)10-3-6-16-8-10/h2-6,8-9H,7H2,1H3
InChIKeyZRWGRSRIOLFIAF-UHFFFAOYSA-N
MW236.30 g/mol
LogP2.19
Rot. Bonds4

About 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate

1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate (PubChem CID 71974732) has the molecular formula C11H12N2O2S and a molecular weight of 236.30 g/mol. Its IUPAC name is 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate.

Molecular Properties

Compound Name1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate
PubChem CID71974732
Molecular FormulaC11H12N2O2S
Molecular Weight236.30 g/mol
Exact Mass236.06
IUPAC Name1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate
SMILESCC(Cn1cccn1)OC(=O)c1ccsc1
InChIInChI=1S/C11H12N2O2S/c1-9(7-13-5-2-4-12-13)15-11(14)10-3-6-16-8-10/h2-6,8-9H,7H2,1H3
InChIKeyZRWGRSRIOLFIAF-UHFFFAOYSA-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

[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
CID 96995871
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate
CID 97088036
1-pyrazol-1-ylpropan-2-yl 4-nitrobenzoate
CID 71974723
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-cyanothiophene-2-carboxylate
CID 96995933
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate
CID 96534914
[(2R)-1-pyrazol-1-ylpropan-2-yl] 2-methoxypyridine-3-carboxylate
CID 97136672
[(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
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] thiophene-3-carboxylate
CID 30402263
1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 71859584
[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl] thiophene-3-carboxylate
CID 9380865

Frequently Asked Questions

What is the IUPAC name of 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate?
The IUPAC name of 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate (CID 71974732) is 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate.
What is the SMILES notation for 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate?
The canonical SMILES for 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate is CC(Cn1cccn1)OC(=O)c1ccsc1.
What is the InChIKey of 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate?
The InChIKey is ZRWGRSRIOLFIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2S/c1-9(7-13-5-2-4-12-13)15-11(14)10-3-6-16-8-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate?
1-pyrazol-1-ylpropan-2-yl thiophene-3-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 1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate is sourced from PubChem (CID 71974732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).