2-(1-cyclohexylpyrazol-4-yl)oxyphenol

C15H18N2O2 — CID 117229305

IUPAC2-(1-cyclohexylpyrazol-4-yl)oxyphenol
SMILESOc1ccccc1Oc1cnn(C2CCCCC2)c1
InChIInChI=1S/C15H18N2O2/c18-14-8-4-5-9-15(14)19-13-10-16-17(11-13)12-6-2-1-3-7-12/h4-5,8-12,18H,1-3,6-7H2
InChIKeyIWABIPYZNONFKE-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.89
Rot. Bonds3

About 2-(1-cyclohexylpyrazol-4-yl)oxyphenol

2-(1-cyclohexylpyrazol-4-yl)oxyphenol (PubChem CID 117229305) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1-cyclohexylpyrazol-4-yl)oxyphenol.

Molecular Properties

Compound Name2-(1-cyclohexylpyrazol-4-yl)oxyphenol
PubChem CID117229305
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(1-cyclohexylpyrazol-4-yl)oxyphenol
SMILESOc1ccccc1Oc1cnn(C2CCCCC2)c1
InChIInChI=1S/C15H18N2O2/c18-14-8-4-5-9-15(14)19-13-10-16-17(11-13)12-6-2-1-3-7-12/h4-5,8-12,18H,1-3,6-7H2
InChIKeyIWABIPYZNONFKE-UHFFFAOYSA-N
XLogP3.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclohexylpyrazol-4-yl)oxyphenol?
The IUPAC name of 2-(1-cyclohexylpyrazol-4-yl)oxyphenol (CID 117229305) is 2-(1-cyclohexylpyrazol-4-yl)oxyphenol.
What is the SMILES notation for 2-(1-cyclohexylpyrazol-4-yl)oxyphenol?
The canonical SMILES for 2-(1-cyclohexylpyrazol-4-yl)oxyphenol is Oc1ccccc1Oc1cnn(C2CCCCC2)c1.
What is the InChIKey of 2-(1-cyclohexylpyrazol-4-yl)oxyphenol?
The InChIKey is IWABIPYZNONFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c18-14-8-4-5-9-15(14)19-13-10-16-17(11-13)12-6-2-1-3-7-12/h4-5,8-12,18H,1-3,6-7H2.
What are the key properties of 2-(1-cyclohexylpyrazol-4-yl)oxyphenol?
2-(1-cyclohexylpyrazol-4-yl)oxyphenol has a molecular weight of 258.32 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclohexylpyrazol-4-yl)oxyphenol is sourced from PubChem (CID 117229305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).