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

C17H12Cl2N2O — CID 136626504

IUPAC4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol
SMILESOc1ccc(C=Cc2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1
InChIInChI=1S/C17H12Cl2N2O/c18-15-8-4-12(9-16(15)19)17-10-13(20-21-17)5-1-11-2-6-14(22)7-3-11/h1-10,22H,(H,20,21)
InChIKeyOXPXWVRPVIUAQC-UHFFFAOYSA-N
MW331.20 g/mol
LogP5.26
Rot. Bonds3

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

4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol (PubChem CID 136626504) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol.

Molecular Properties

Compound Name4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol
PubChem CID136626504
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol
SMILESOc1ccc(C=Cc2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1
InChIInChI=1S/C17H12Cl2N2O/c18-15-8-4-12(9-16(15)19)17-10-13(20-21-17)5-1-11-2-6-14(22)7-3-11/h1-10,22H,(H,20,21)
InChIKeyOXPXWVRPVIUAQC-UHFFFAOYSA-N
XLogP5.26
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.20
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-(3-phenyl-1H-pyrazol-5-yl)ethenyl]phenol
CID 135991591
4-(3,4-dichlorophenyl)phenol
CID 6452909
5-chloro-3-(4-hydroxyphenyl)-1H-pyridazin-6-one
CID 136965927
4-[5-[(E)-2-phenylethenyl]-1H-pyrazol-3-yl]aniline
CID 143204611
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
5-[(E)-3-(3,4-dichlorophenyl)prop-1-enyl]-3-(4-fluorophenyl)-1H-pyrazole
CID 144798858
1,2-dichloro-4-[(Z)-2-(4-methylphenyl)ethenyl]benzene
CID 129289672
3-[3-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]-1-(3,4-dichlorophenyl)prop-2-en-1-one
CID 123340049
(E)-1-(4-chloro-3-methylphenyl)-3-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]prop-2-en-1-one
CID 122414209
tert-butyl 3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxylate
CID 86614809
4-[2-(4-phenylphenyl)ethenyl]phenol
CID 73178657
(Z)-3-[4-(3,4-dichlorophenyl)phenyl]prop-2-enamide
CID 170876865

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol?
The IUPAC name of 4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol (CID 136626504) is 4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol.
What is the SMILES notation for 4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol?
The canonical SMILES for 4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol is Oc1ccc(C=Cc2cc(-c3ccc(Cl)c(Cl)c3)n[nH]2)cc1.
What is the InChIKey of 4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol?
The InChIKey is OXPXWVRPVIUAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-15-8-4-12(9-16(15)19)17-10-13(20-21-17)5-1-11-2-6-14(22)7-3-11/h1-10,22H,(H,20,21).
What are the key properties of 4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol?
4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol has a molecular weight of 331.20 g/mol, XLogP of 5.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]ethenyl]phenol is sourced from PubChem (CID 136626504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).