trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol

C9H14N2O — CID 12059971

IUPACtrans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1n1cccn1
InChIInChI=1S/C9H14N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h3,6-9,12H,1-2,4-5H2/t8-,9-/m0/s1
InChIKeyDZHXIEMTUWOOQK-IUCAKERBSA-N
MW166.22 g/mol
LogP1.36
Rot. Bonds1

About trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol

trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol (PubChem CID 12059971) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol
PubChem CID12059971
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Nametrans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1n1cccn1
InChIInChI=1S/C9H14N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h3,6-9,12H,1-2,4-5H2/t8-,9-/m0/s1
InChIKeyDZHXIEMTUWOOQK-IUCAKERBSA-N
XLogP1.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol (CID 12059971) is trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol is O[C@H]1CCCC[C@@H]1n1cccn1.
What is the InChIKey of trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol?
The InChIKey is DZHXIEMTUWOOQK-IUCAKERBSA-N. The full InChI is InChI=1S/C9H14N2O/c12-9-5-2-1-4-8(9)11-7-3-6-10-11/h3,6-9,12H,1-2,4-5H2/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol?
trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-pyrazol-1-ylcyclohexan-1-ol is sourced from PubChem (CID 12059971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).