2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol

C17H13ClN2O — CID 138811097

IUPAC2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(C=Cc2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C17H13ClN2O/c18-13-8-5-12(6-9-13)7-10-14-11-16(20-19-14)15-3-1-2-4-17(15)21/h1-11,21H,(H,19,20)
InChIKeyJHCVRVHWPLCNMV-UHFFFAOYSA-N
MW296.76 g/mol
LogP4.61
Rot. Bonds3

About 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol

2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol (PubChem CID 138811097) has the molecular formula C17H13ClN2O and a molecular weight of 296.76 g/mol. Its IUPAC name is 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol
PubChem CID138811097
Molecular FormulaC17H13ClN2O
Molecular Weight296.76 g/mol
Exact Mass296.07
IUPAC Name2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol
SMILESOc1ccccc1-c1cc(C=Cc2ccc(Cl)cc2)[nH]n1
InChIInChI=1S/C17H13ClN2O/c18-13-8-5-12(6-9-13)7-10-14-11-16(20-19-14)15-3-1-2-4-17(15)21/h1-11,21H,(H,19,20)
InChIKeyJHCVRVHWPLCNMV-UHFFFAOYSA-N
XLogP4.61
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Chloro-2-(1H-pyrazol-3-yl)phenol
CID 87756
o-(1H-pyrazol-3-yl)phenol
CID 819511
Vrt-532
CID 781239
2-[5-(2-Fluorophenyl)-1H-pyrazol-3-yl]phenol
CID 136226476
2-[5-(1,1,2,2-tetrafluoroethyl)-1H-pyrazol-3-yl]phenol
CID 762936
2-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]phenol
CID 699643
2-(5-(4-fluorophenyl)-1H-pyrazol-3-yl)phenol
CID 759784
2-[5-(4-tert-Butyl-phenyl)-1H-pyrazol-3-yl]-phenol
CID 775984
5-Methyl-2-(5-p-tolyl-1H-pyrazol-3-yl)-phenol
CID 775990
2-[5-(4-Fluoro-phenyl)-1H-pyrazol-3-yl]-5-methyl-phenol
CID 781217
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
4-chloro-2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781244

Frequently Asked Questions

What is the IUPAC name of 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol?
The IUPAC name of 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol (CID 138811097) is 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol is Oc1ccccc1-c1cc(C=Cc2ccc(Cl)cc2)[nH]n1.
What is the InChIKey of 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol?
The InChIKey is JHCVRVHWPLCNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O/c18-13-8-5-12(6-9-13)7-10-14-11-16(20-19-14)15-3-1-2-4-17(15)21/h1-11,21H,(H,19,20).
What are the key properties of 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol?
2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol has a molecular weight of 296.76 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[2-(4-chlorophenyl)ethenyl]-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 138811097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).