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

C11H12N2O3 — CID 96995871

IUPAC[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
SMILESC[C@@H](Cn1cccn1)OC(=O)c1ccoc1
InChIInChI=1S/C11H12N2O3/c1-9(7-13-5-2-4-12-13)16-11(14)10-3-6-15-8-10/h2-6,8-9H,7H2,1H3/t9-/m0/s1
InChIKeyHBUHNXRGKOYBME-VIFPVBQESA-N
MW220.23 g/mol
LogP1.72
Rot. Bonds4

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

[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate (PubChem CID 96995871) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is [(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
PubChem CID96995871
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate
SMILESC[C@@H](Cn1cccn1)OC(=O)c1ccoc1
InChIInChI=1S/C11H12N2O3/c1-9(7-13-5-2-4-12-13)16-11(14)10-3-6-15-8-10/h2-6,8-9H,7H2,1H3/t9-/m0/s1
InChIKeyHBUHNXRGKOYBME-VIFPVBQESA-N
XLogP1.72
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-pyrazol-1-ylpropan-2-yl] pyridine-3-carboxylate
CID 97088036
1-pyrazol-1-ylpropan-2-yl thiophene-3-carboxylate
CID 71974732
1-pyrazol-1-ylpropan-2-yl 4-nitrobenzoate
CID 71974723
[(2R)-1-pyrazol-1-ylpropan-2-yl] thiophene-2-carboxylate
CID 96995944
1-phenylpropan-2-yl furan-3-carboxylate
CID 60617101
[(2S)-1-pyrazol-1-ylpropan-2-yl] 3-cyanothiophene-2-carboxylate
CID 96995933
[(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-pyrazol-1-ylpropan-2-yl] 3-methoxythiophene-2-carboxylate
CID 96534914
1-pyrazol-1-ylpropan-2-yl 2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
CID 71859584
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] furan-3-carboxylate?
The IUPAC name of [(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate (CID 96995871) is [(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate.
What is the SMILES notation for [(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate?
The canonical SMILES for [(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate is C[C@@H](Cn1cccn1)OC(=O)c1ccoc1.
What is the InChIKey of [(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate?
The InChIKey is HBUHNXRGKOYBME-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O3/c1-9(7-13-5-2-4-12-13)16-11(14)10-3-6-15-8-10/h2-6,8-9H,7H2,1H3/t9-/m0/s1.
What are the key properties of [(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate?
[(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-pyrazol-1-ylpropan-2-yl] furan-3-carboxylate is sourced from PubChem (CID 96995871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).