trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol

C8H12N2O — CID 50990000

IUPACtrans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1n1cccn1
InChIInChI=1S/C8H12N2O/c11-8-4-1-3-7(8)10-6-2-5-9-10/h2,5-8,11H,1,3-4H2/t7-,8-/m1/s1
InChIKeyBOKRXYSLZWESBK-HTQZYQBOSA-N
MW152.20 g/mol
LogP0.97
Rot. Bonds1

About trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol

trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol (PubChem CID 50990000) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol
PubChem CID50990000
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Nametrans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1n1cccn1
InChIInChI=1S/C8H12N2O/c11-8-4-1-3-7(8)10-6-2-5-9-10/h2,5-8,11H,1,3-4H2/t7-,8-/m1/s1
InChIKeyBOKRXYSLZWESBK-HTQZYQBOSA-N
XLogP0.97
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol (CID 50990000) is trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol is O[C@@H]1CCC[C@H]1n1cccn1.
What is the InChIKey of trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol?
The InChIKey is BOKRXYSLZWESBK-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H12N2O/c11-8-4-1-3-7(8)10-6-2-5-9-10/h2,5-8,11H,1,3-4H2/t7-,8-/m1/s1.
What are the key properties of trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol?
trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol has a molecular weight of 152.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-pyrazol-1-ylcyclopentan-1-ol is sourced from PubChem (CID 50990000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).