2-(5-chloro-4-phenoxypyrazol-1-yl)phenol

C15H11ClN2O2 — CID 117232967

IUPAC2-(5-chloro-4-phenoxypyrazol-1-yl)phenol
SMILESOc1ccccc1-n1ncc(Oc2ccccc2)c1Cl
InChIInChI=1S/C15H11ClN2O2/c16-15-14(20-11-6-2-1-3-7-11)10-17-18(15)12-8-4-5-9-13(12)19/h1-10,19H
InChIKeySKBSVHHFVULYFF-UHFFFAOYSA-N
MW286.72 g/mol
LogP4.02
Rot. Bonds3

About 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol

2-(5-chloro-4-phenoxypyrazol-1-yl)phenol (PubChem CID 117232967) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol.

Molecular Properties

Compound Name2-(5-chloro-4-phenoxypyrazol-1-yl)phenol
PubChem CID117232967
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name2-(5-chloro-4-phenoxypyrazol-1-yl)phenol
SMILESOc1ccccc1-n1ncc(Oc2ccccc2)c1Cl
InChIInChI=1S/C15H11ClN2O2/c16-15-14(20-11-6-2-1-3-7-11)10-17-18(15)12-8-4-5-9-13(12)19/h1-10,19H
InChIKeySKBSVHHFVULYFF-UHFFFAOYSA-N
XLogP4.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol?
The IUPAC name of 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol (CID 117232967) is 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol.
What is the SMILES notation for 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol?
The canonical SMILES for 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol is Oc1ccccc1-n1ncc(Oc2ccccc2)c1Cl.
What is the InChIKey of 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol?
The InChIKey is SKBSVHHFVULYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c16-15-14(20-11-6-2-1-3-7-11)10-17-18(15)12-8-4-5-9-13(12)19/h1-10,19H.
What are the key properties of 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol?
2-(5-chloro-4-phenoxypyrazol-1-yl)phenol has a molecular weight of 286.72 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-phenoxypyrazol-1-yl)phenol is sourced from PubChem (CID 117232967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).