trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol

C10H16N2O — CID 15853903

IUPACtrans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1ccn([C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C10H16N2O/c1-8-6-7-12(11-8)9-4-2-3-5-10(9)13/h6-7,9-10,13H,2-5H2,1H3/t9-,10-/m0/s1
InChIKeyISTSBVHVABFBAK-UWVGGRQHSA-N
MW180.25 g/mol
LogP1.67
Rot. Bonds1

About trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol

trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol (PubChem CID 15853903) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol
PubChem CID15853903
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nametrans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol
SMILESCc1ccn([C@H]2CCCC[C@@H]2O)n1
InChIInChI=1S/C10H16N2O/c1-8-6-7-12(11-8)9-4-2-3-5-10(9)13/h6-7,9-10,13H,2-5H2,1H3/t9-,10-/m0/s1
InChIKeyISTSBVHVABFBAK-UWVGGRQHSA-N
XLogP1.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol (CID 15853903) is trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol is Cc1ccn([C@H]2CCCC[C@@H]2O)n1.
What is the InChIKey of trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
The InChIKey is ISTSBVHVABFBAK-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-6-7-12(11-8)9-4-2-3-5-10(9)13/h6-7,9-10,13H,2-5H2,1H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol?
trans-(1S,2S)-2-(3-methylpyrazol-1-yl)cyclohexan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.67, 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-(3-methylpyrazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 15853903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).