[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate

C8H10N2O3 — CID 130684136

IUPAC[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate
SMILESO=C(O[C@H]1CCOC1)c1cn[nH]c1
InChIInChI=1S/C8H10N2O3/c11-8(6-3-9-10-4-6)13-7-1-2-12-5-7/h3-4,7H,1-2,5H2,(H,9,10)/t7-/m0/s1
InChIKeyYWCYGKTVWDWGDA-ZETCQYMHSA-N
MW182.18 g/mol
LogP0.36
Rot. Bonds2

About [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate

[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate (PubChem CID 130684136) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate
PubChem CID130684136
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate
SMILESO=C(O[C@H]1CCOC1)c1cn[nH]c1
InChIInChI=1S/C8H10N2O3/c11-8(6-3-9-10-4-6)13-7-1-2-12-5-7/h3-4,7H,1-2,5H2,(H,9,10)/t7-/m0/s1
InChIKeyYWCYGKTVWDWGDA-ZETCQYMHSA-N
XLogP0.36
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate?
The IUPAC name of [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate (CID 130684136) is [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate.
What is the SMILES notation for [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate?
The canonical SMILES for [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate is O=C(O[C@H]1CCOC1)c1cn[nH]c1.
What is the InChIKey of [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate?
The InChIKey is YWCYGKTVWDWGDA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-8(6-3-9-10-4-6)13-7-1-2-12-5-7/h3-4,7H,1-2,5H2,(H,9,10)/t7-/m0/s1.
What are the key properties of [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate?
[(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-oxolan-3-yl] 1H-pyrazole-4-carboxylate is sourced from PubChem (CID 130684136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).