trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol

C11H18N2O2 — CID 102732701

IUPACtrans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol
SMILESCCn1cc(O[C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C11H18N2O2/c1-2-13-8-9(7-12-13)15-11-6-4-3-5-10(11)14/h7-8,10-11,14H,2-6H2,1H3/t10-,11-/m0/s1
InChIKeyLECPBLJFNWXMAK-QWRGUYRKSA-N
MW210.28 g/mol
LogP1.59
Rot. Bonds3

About trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol

trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol (PubChem CID 102732701) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol
PubChem CID102732701
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nametrans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol
SMILESCCn1cc(O[C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C11H18N2O2/c1-2-13-8-9(7-12-13)15-11-6-4-3-5-10(11)14/h7-8,10-11,14H,2-6H2,1H3/t10-,11-/m0/s1
InChIKeyLECPBLJFNWXMAK-QWRGUYRKSA-N
XLogP1.59
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol (CID 102732701) is trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol is CCn1cc(O[C@H]2CCCC[C@@H]2O)cn1.
What is the InChIKey of trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol?
The InChIKey is LECPBLJFNWXMAK-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-13-8-9(7-12-13)15-11-6-4-3-5-10(11)14/h7-8,10-11,14H,2-6H2,1H3/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol?
trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol has a molecular weight of 210.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(1-ethylpyrazol-4-yl)oxycyclohexan-1-ol is sourced from PubChem (CID 102732701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).