4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride

C13H12ClFN2OS — CID 154829393

IUPAC4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride
SMILESCl.Oc1ccc(F)cc1C1=NNC(c2cccs2)C1
InChIInChI=1S/C13H11FN2OS.ClH/c14-8-3-4-12(17)9(6-8)10-7-11(16-15-10)13-2-1-5-18-13;/h1-6,11,16-17H,7H2;1H
InChIKeyWKZJYFHOIYKZMD-UHFFFAOYSA-N
MW298.77 g/mol
LogP3.45
Rot. Bonds2

About 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride

4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride (PubChem CID 154829393) has the molecular formula C13H12ClFN2OS and a molecular weight of 298.77 g/mol. Its IUPAC name is 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride
PubChem CID154829393
Molecular FormulaC13H12ClFN2OS
Molecular Weight298.77 g/mol
Exact Mass298.03
IUPAC Name4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride
SMILESCl.Oc1ccc(F)cc1C1=NNC(c2cccs2)C1
InChIInChI=1S/C13H11FN2OS.ClH/c14-8-3-4-12(17)9(6-8)10-7-11(16-15-10)13-2-1-5-18-13;/h1-6,11,16-17H,7H2;1H
InChIKeyWKZJYFHOIYKZMD-UHFFFAOYSA-N
XLogP3.45
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-fluorophenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175451
4-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 4738378
2-[5-(2-chlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]-4-fluorophenol
CID 2936913
3-phenyl-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 4738375
5-thiophen-2-yl-3-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazole
CID 18175535
3-(4-tert-butylphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175478
(5S)-3-(4-methoxyphenyl)-5-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 40741628
2-[6-(4-fluorophenyl)-2-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
CID 135572707
4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol
CID 4746898
4-methyl-2-[(5R)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenol
CID 135602935
5-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175524
4-bromo-2-[(5S)-3-thiophen-2-yl-4,5-dihydro-1H-pyrazol-5-yl]phenol
CID 40729419

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride?
The IUPAC name of 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride (CID 154829393) is 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride.
What is the SMILES notation for 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride?
The canonical SMILES for 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride is Cl.Oc1ccc(F)cc1C1=NNC(c2cccs2)C1.
What is the InChIKey of 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride?
The InChIKey is WKZJYFHOIYKZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS.ClH/c14-8-3-4-12(17)9(6-8)10-7-11(16-15-10)13-2-1-5-18-13;/h1-6,11,16-17H,7H2;1H.
What are the key properties of 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride?
4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride is sourced from PubChem (CID 154829393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).