4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol

C15H11ClN2O — CID 781244

IUPAC4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H11ClN2O/c16-11-6-7-15(19)12(8-11)14-9-13(17-18-14)10-4-2-1-3-5-10/h1-9,19H,(H,17,18)
InChIKeyGQKWBLRKKSSCQQ-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.10
Rot. Bonds2

About 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol

4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol (PubChem CID 781244) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol
PubChem CID781244
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol
SMILESOc1ccc(Cl)cc1-c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C15H11ClN2O/c16-11-6-7-15(19)12(8-11)14-9-13(17-18-14)10-4-2-1-3-5-10/h1-9,19H,(H,17,18)
InChIKeyGQKWBLRKKSSCQQ-UHFFFAOYSA-N
XLogP4.10
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The IUPAC name of 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol (CID 781244) is 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol is Oc1ccc(Cl)cc1-c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
The InChIKey is GQKWBLRKKSSCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-11-6-7-15(19)12(8-11)14-9-13(17-18-14)10-4-2-1-3-5-10/h1-9,19H,(H,17,18).
What are the key properties of 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol?
4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol has a molecular weight of 270.72 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-phenyl-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 781244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).