5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole

C15H16N2O — CID 67015066

IUPAC5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole
SMILESC1=CC(Oc2[nH]ncc2-c2ccccc2)CCC1
InChIInChI=1S/C15H16N2O/c1-3-7-12(8-4-1)14-11-16-17-15(14)18-13-9-5-2-6-10-13/h1,3-5,7-9,11,13H,2,6,10H2,(H,16,17)
InChIKeyXOXFDNVDVRVTJX-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.56
Rot. Bonds3

About 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole

5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole (PubChem CID 67015066) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole
PubChem CID67015066
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole
SMILESC1=CC(Oc2[nH]ncc2-c2ccccc2)CCC1
InChIInChI=1S/C15H16N2O/c1-3-7-12(8-4-1)14-11-16-17-15(14)18-13-9-5-2-6-10-13/h1,3-5,7-9,11,13H,2,6,10H2,(H,16,17)
InChIKeyXOXFDNVDVRVTJX-UHFFFAOYSA-N
XLogP3.56
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole?
The IUPAC name of 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole (CID 67015066) is 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole.
What is the SMILES notation for 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole?
The canonical SMILES for 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole is C1=CC(Oc2[nH]ncc2-c2ccccc2)CCC1.
What is the InChIKey of 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole?
The InChIKey is XOXFDNVDVRVTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-3-7-12(8-4-1)14-11-16-17-15(14)18-13-9-5-2-6-10-13/h1,3-5,7-9,11,13H,2,6,10H2,(H,16,17).
What are the key properties of 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole?
5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole has a molecular weight of 240.31 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohex-2-en-1-yloxy-4-phenyl-1H-pyrazole is sourced from PubChem (CID 67015066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).