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

C10H16N2O2 — CID 102732699

IUPACtrans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol
SMILESCn1cc(O[C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C10H16N2O2/c1-12-7-8(6-11-12)14-10-5-3-2-4-9(10)13/h6-7,9-10,13H,2-5H2,1H3/t9-,10-/m0/s1
InChIKeyXSLIXWFMTTZMPK-UWVGGRQHSA-N
MW196.25 g/mol
LogP1.10
Rot. Bonds2

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

trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol (PubChem CID 102732699) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol
PubChem CID102732699
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nametrans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol
SMILESCn1cc(O[C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C10H16N2O2/c1-12-7-8(6-11-12)14-10-5-3-2-4-9(10)13/h6-7,9-10,13H,2-5H2,1H3/t9-,10-/m0/s1
InChIKeyXSLIXWFMTTZMPK-UWVGGRQHSA-N
XLogP1.10
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.10
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-methylpyrazol-4-yl)oxycyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol (CID 102732699) is trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol is Cn1cc(O[C@H]2CCCC[C@@H]2O)cn1.
What is the InChIKey of trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol?
The InChIKey is XSLIXWFMTTZMPK-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-7-8(6-11-12)14-10-5-3-2-4-9(10)13/h6-7,9-10,13H,2-5H2,1H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol?
trans-(1S,2S)-2-(1-methylpyrazol-4-yl)oxycyclohexan-1-ol has a molecular weight of 196.25 g/mol, XLogP of 1.10, 2 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-methylpyrazol-4-yl)oxycyclohexan-1-ol is sourced from PubChem (CID 102732699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).