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

C12H20N2O2 — CID 102732705

IUPACtrans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol
SMILESCC(C)n1cc(O[C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-8-10(7-13-14)16-12-6-4-3-5-11(12)15/h7-9,11-12,15H,3-6H2,1-2H3/t11-,12-/m0/s1
InChIKeyGMDVUDHSDAQCSU-RYUDHWBXSA-N
MW224.30 g/mol
LogP2.15
Rot. Bonds3

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

trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol (PubChem CID 102732705) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol
PubChem CID102732705
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Nametrans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol
SMILESCC(C)n1cc(O[C@H]2CCCC[C@@H]2O)cn1
InChIInChI=1S/C12H20N2O2/c1-9(2)14-8-10(7-13-14)16-12-6-4-3-5-11(12)15/h7-9,11-12,15H,3-6H2,1-2H3/t11-,12-/m0/s1
InChIKeyGMDVUDHSDAQCSU-RYUDHWBXSA-N
XLogP2.15
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.15
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-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol (CID 102732705) is trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol is CC(C)n1cc(O[C@H]2CCCC[C@@H]2O)cn1.
What is the InChIKey of trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol?
The InChIKey is GMDVUDHSDAQCSU-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9(2)14-8-10(7-13-14)16-12-6-4-3-5-11(12)15/h7-9,11-12,15H,3-6H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol?
trans-(1S,2S)-2-(1-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 2.15, 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-propan-2-ylpyrazol-4-yl)oxycyclohexan-1-ol is sourced from PubChem (CID 102732705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).