4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

C15H12ClFN2O — CID 3771162

IUPAC4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1C1=NNC(c2ccccc2F)C1
InChIInChI=1S/C15H12ClFN2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-7,13,18,20H,8H2
InChIKeyRUCSPLNZEQHLMO-UHFFFAOYSA-N
MW290.73 g/mol
LogP3.62
Rot. Bonds2

About 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol

4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (PubChem CID 3771162) has the molecular formula C15H12ClFN2O and a molecular weight of 290.73 g/mol. Its IUPAC name is 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
PubChem CID3771162
Molecular FormulaC15H12ClFN2O
Molecular Weight290.73 g/mol
Exact Mass290.06
IUPAC Name4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
SMILESOc1ccc(Cl)cc1C1=NNC(c2ccccc2F)C1
InChIInChI=1S/C15H12ClFN2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-7,13,18,20H,8H2
InChIKeyRUCSPLNZEQHLMO-UHFFFAOYSA-N
XLogP3.62
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-6-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4359519
Cambridge id 6605013
CID 2905011
2-[3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 135971393
2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-methylphenol
CID 2936980
2-(5-(4-Fluorophenyl)-4,5-dihydro-1H-pyrazol-3-YL)phenol
CID 3430440
2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 4738346
2-[5-(2-Fluorophenyl)-2-pyrazolin-3-yl]phenol
CID 5175667
2-[5-(3-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 166633111
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
2-[(5S)-5-(4-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 719839
4-chloro-2-[5-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 3713697
2-[(5S)-3-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 136196485

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The IUPAC name of 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol (CID 3771162) is 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol.
What is the SMILES notation for 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The canonical SMILES for 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is Oc1ccc(Cl)cc1C1=NNC(c2ccccc2F)C1.
What is the InChIKey of 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
The InChIKey is RUCSPLNZEQHLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2O/c16-9-5-6-15(20)11(7-9)14-8-13(18-19-14)10-3-1-2-4-12(10)17/h1-7,13,18,20H,8H2.
What are the key properties of 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol?
4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol has a molecular weight of 290.73 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]phenol is sourced from PubChem (CID 3771162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).