4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol

C12H18N2O — CID 165498607

IUPAC4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol
SMILESCCC1C=CC(O)(c2ccn(C)n2)CC1
InChIInChI=1S/C12H18N2O/c1-3-10-4-7-12(15,8-5-10)11-6-9-14(2)13-11/h4,6-7,9-10,15H,3,5,8H2,1-2H3
InChIKeyJNFFLGZFRMRFMF-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.98
Rot. Bonds2

About 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol

4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol (PubChem CID 165498607) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol.

Molecular Properties

Compound Name4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol
PubChem CID165498607
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol
SMILESCCC1C=CC(O)(c2ccn(C)n2)CC1
InChIInChI=1S/C12H18N2O/c1-3-10-4-7-12(15,8-5-10)11-6-9-14(2)13-11/h4,6-7,9-10,15H,3,5,8H2,1-2H3
InChIKeyJNFFLGZFRMRFMF-UHFFFAOYSA-N
XLogP1.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol?
The IUPAC name of 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol (CID 165498607) is 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol.
What is the SMILES notation for 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol?
The canonical SMILES for 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol is CCC1C=CC(O)(c2ccn(C)n2)CC1.
What is the InChIKey of 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol?
The InChIKey is JNFFLGZFRMRFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-10-4-7-12(15,8-5-10)11-6-9-14(2)13-11/h4,6-7,9-10,15H,3,5,8H2,1-2H3.
What are the key properties of 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol?
4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol has a molecular weight of 206.29 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(1-methylpyrazol-3-yl)cyclohex-2-en-1-ol is sourced from PubChem (CID 165498607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).