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

C13H11FN2OS — CID 4746898

IUPAC4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol
SMILESOc1ccc(F)cc1C1=CC(c2cccs2)NN1
InChIInChI=1S/C13H11FN2OS/c14-8-3-4-12(17)9(6-8)10-7-11(16-15-10)13-2-1-5-18-13/h1-7,11,15-17H
InChIKeyDVSRASPYNYGOJL-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.78
Rot. Bonds2

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

4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol (PubChem CID 4746898) has the molecular formula C13H11FN2OS and a molecular weight of 262.31 g/mol. Its IUPAC name is 4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol.

Molecular Properties

Compound Name4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol
PubChem CID4746898
Molecular FormulaC13H11FN2OS
Molecular Weight262.31 g/mol
Exact Mass262.06
IUPAC Name4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol
SMILESOc1ccc(F)cc1C1=CC(c2cccs2)NN1
InChIInChI=1S/C13H11FN2OS/c14-8-3-4-12(17)9(6-8)10-7-11(16-15-10)13-2-1-5-18-13/h1-7,11,15-17H
InChIKeyDVSRASPYNYGOJL-UHFFFAOYSA-N
XLogP2.78
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-thiophen-2-yl-5-(2,4,6-trifluorophenyl)-2,3-dihydro-1H-pyrazole
CID 70020647
2-[3-(4-fluorophenyl)-2,3-dihydro-1H-pyrazol-5-yl]-4-methylphenol
CID 4193392
4-fluoro-2-(5-thiophen-2-yl-4,5-dihydro-1H-pyrazol-3-yl)phenol;hydrochloride
CID 154829393
2-(2,5-difluorophenyl)phenol
CID 53218546
4-fluoro-2-(1,3-thiazol-4-yl)phenol
CID 97033771
2-[6-(4-fluorophenyl)-2-thiophen-2-yl-1,2,5,6-tetrahydropyrimidin-4-yl]phenol
CID 135572707
3-[4-(difluoromethoxy)phenyl]-5-thiophen-2-yl-2,3-dihydro-1H-pyrazole
CID 70020191
5-thiophen-2-yl-3-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1H-pyrazole
CID 70019659
5-fluoro-2-(2-hydroxyphenyl)phenol
CID 53218535
2-(4-fluorophenyl)-5-methyl-3-thiophen-2-yl-3,4-dihydropyrazole-4-carboxylic acid
CID 82073003
2-(3-amino-1,2-oxazol-5-yl)-4-fluorophenol
CID 137015317
4-(4-fluorophenyl)-5-thiophen-2-ylimidazolidine-2-thione
CID 151730229

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol?
The IUPAC name of 4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol (CID 4746898) is 4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol.
What is the SMILES notation for 4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol?
The canonical SMILES for 4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol is Oc1ccc(F)cc1C1=CC(c2cccs2)NN1.
What is the InChIKey of 4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol?
The InChIKey is DVSRASPYNYGOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2OS/c14-8-3-4-12(17)9(6-8)10-7-11(16-15-10)13-2-1-5-18-13/h1-7,11,15-17H.
What are the key properties of 4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol?
4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol has a molecular weight of 262.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(3-thiophen-2-yl-2,3-dihydro-1H-pyrazol-5-yl)phenol is sourced from PubChem (CID 4746898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).