4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole

C13H9FN2S — CID 59888697

IUPAC4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole
SMILESFc1cccc(-c2cn[nH]c2-c2ccsc2)c1
InChIInChI=1S/C13H9FN2S/c14-11-3-1-2-9(6-11)12-7-15-16-13(12)10-4-5-17-8-10/h1-8H,(H,15,16)
InChIKeySPBFRIHJKNZDFS-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.94
Rot. Bonds2

About 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole

4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole (PubChem CID 59888697) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole.

Molecular Properties

Compound Name4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole
PubChem CID59888697
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole
SMILESFc1cccc(-c2cn[nH]c2-c2ccsc2)c1
InChIInChI=1S/C13H9FN2S/c14-11-3-1-2-9(6-11)12-7-15-16-13(12)10-4-5-17-8-10/h1-8H,(H,15,16)
InChIKeySPBFRIHJKNZDFS-UHFFFAOYSA-N
XLogP3.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-Thienyl)pyrazole
CID 340711
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-thiophenyl)-2-propanamine
CID 16190435
4-ethyl-N'-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methylene}-5-methyl-3-thiophenecarbohydrazide
CID 135521407
6,8-Dimethyl-4,5-dihydro-1H-7-thia-1,2-diaza-as-indacene
CID 9837137
UR97LQ3DH9
CID 9859861
3-(2,5-dimethyl-3-thienyl)-1H-pyrazole
CID 3818016
4,5-dihydro-1H-thieno[2,3-g]indazole
CID 13452859
6-(Thiophen-3-yl)-1H-indazole
CID 18007497
Cyto6G4
CID 2822152
2-(3-(Thiophen-2-YL)-1H-pyrazol-5-YL)aniline
CID 10514262
N'-[(3-phenyl-1H-pyrazol-4-yl)methylene]-2-thiophenecarbohydrazide
CID 135521503
2-methylsulfanyl-4-phenyl-5-(1H-pyrazol-5-yl)thiophene-3-carbonitrile
CID 2821046

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole?
The IUPAC name of 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole (CID 59888697) is 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole.
What is the SMILES notation for 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole?
The canonical SMILES for 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole is Fc1cccc(-c2cn[nH]c2-c2ccsc2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole?
The InChIKey is SPBFRIHJKNZDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c14-11-3-1-2-9(6-11)12-7-15-16-13(12)10-4-5-17-8-10/h1-8H,(H,15,16).
What are the key properties of 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole?
4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole has a molecular weight of 244.29 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-5-thiophen-3-yl-1H-pyrazole is sourced from PubChem (CID 59888697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).