2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol

C15H11ClN2O — CID 781212

IUPAC2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2Cl)[nH]n1
InChIInChI=1S/C15H11ClN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-9,19H,(H,17,18)
InChIKeyWVSVHWLLYNJIRR-UHFFFAOYSA-N
MW270.72 g/mol
LogP4.10
Rot. Bonds2

About 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol

2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol (PubChem CID 781212) has the molecular formula C15H11ClN2O and a molecular weight of 270.72 g/mol. Its IUPAC name is 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
PubChem CID781212
Molecular FormulaC15H11ClN2O
Molecular Weight270.72 g/mol
Exact Mass270.06
IUPAC Name2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2Cl)[nH]n1
InChIInChI=1S/C15H11ClN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-9,19H,(H,17,18)
InChIKeyWVSVHWLLYNJIRR-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 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol (CID 781212) is 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol is Oc1ccccc1-c1cc(-c2ccccc2Cl)[nH]n1.
What is the InChIKey of 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol?
The InChIKey is WVSVHWLLYNJIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O/c16-12-7-3-1-5-10(12)13-9-14(18-17-13)11-6-2-4-8-15(11)19/h1-9,19H,(H,17,18).
What are the key properties of 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol?
2-[5-(2-chlorophenyl)-1H-pyrazol-3-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 2-[5-(2-chlorophenyl)-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 781212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).