4-(4-ethoxypyrazol-1-yl)phenol

C11H12N2O2 — CID 117229696

IUPAC4-(4-ethoxypyrazol-1-yl)phenol
SMILESCCOc1cnn(-c2ccc(O)cc2)c1
InChIInChI=1S/C11H12N2O2/c1-2-15-11-7-12-13(8-11)9-3-5-10(14)6-4-9/h3-8,14H,2H2,1H3
InChIKeyJTQYRHLFAJAJHL-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.98
Rot. Bonds3

About 4-(4-ethoxypyrazol-1-yl)phenol

4-(4-ethoxypyrazol-1-yl)phenol (PubChem CID 117229696) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 4-(4-ethoxypyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-(4-ethoxypyrazol-1-yl)phenol
PubChem CID117229696
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name4-(4-ethoxypyrazol-1-yl)phenol
SMILESCCOc1cnn(-c2ccc(O)cc2)c1
InChIInChI=1S/C11H12N2O2/c1-2-15-11-7-12-13(8-11)9-3-5-10(14)6-4-9/h3-8,14H,2H2,1H3
InChIKeyJTQYRHLFAJAJHL-UHFFFAOYSA-N
XLogP1.98
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxypyrazol-1-yl)phenol?
The IUPAC name of 4-(4-ethoxypyrazol-1-yl)phenol (CID 117229696) is 4-(4-ethoxypyrazol-1-yl)phenol.
What is the SMILES notation for 4-(4-ethoxypyrazol-1-yl)phenol?
The canonical SMILES for 4-(4-ethoxypyrazol-1-yl)phenol is CCOc1cnn(-c2ccc(O)cc2)c1.
What is the InChIKey of 4-(4-ethoxypyrazol-1-yl)phenol?
The InChIKey is JTQYRHLFAJAJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-2-15-11-7-12-13(8-11)9-3-5-10(14)6-4-9/h3-8,14H,2H2,1H3.
What are the key properties of 4-(4-ethoxypyrazol-1-yl)phenol?
4-(4-ethoxypyrazol-1-yl)phenol has a molecular weight of 204.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxypyrazol-1-yl)phenol is sourced from PubChem (CID 117229696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).