1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole

C13H9FN2S — CID 134965137

IUPAC1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole
SMILESFc1ccc(-n2cc(-c3cccs3)cn2)cc1
InChIInChI=1S/C13H9FN2S/c14-11-3-5-12(6-4-11)16-9-10(8-15-16)13-2-1-7-17-13/h1-9H
InChIKeyHPDARABTMRWJLH-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.74
Rot. Bonds2

About 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole

1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole (PubChem CID 134965137) has the molecular formula C13H9FN2S and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole
PubChem CID134965137
Molecular FormulaC13H9FN2S
Molecular Weight244.29 g/mol
Exact Mass244.05
IUPAC Name1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole
SMILESFc1ccc(-n2cc(-c3cccs3)cn2)cc1
InChIInChI=1S/C13H9FN2S/c14-11-3-5-12(6-4-11)16-9-10(8-15-16)13-2-1-7-17-13/h1-9H
InChIKeyHPDARABTMRWJLH-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]urea
CID 6904022
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(methoxymethyl)piperidine
CID 16190127
2-[4-{[1-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}-1-(3-thienylmethyl)-2-piperazinyl]ethanol
CID 16191802
nitric acid;2-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]guanidine
CID 16239028
3-[4-(1-Methylpyrazol-4-yl)thiophen-2-yl]pyridine
CID 145989761
[2-Fluoro-5-(4-thiophen-3-yltriazol-1-yl)phenyl]boronic acid
CID 168297108
5-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 16191379
5-(2,5-dichloro-3-thienyl)-1-(4-fluorophenyl)-1H-pyrazole
CID 1477321
2-phenyl-N-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]ethanamine
CID 4792479
1-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-4-ethylpiperazine
CID 70731622
[2,4-Difluoro-5-(4-thiophen-3-yltriazol-1-yl)phenyl]boronic acid
CID 168285067
[2,3-Difluoro-5-(4-thiophen-3-yltriazol-1-yl)phenyl]boronic acid
CID 168292907

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole?
The IUPAC name of 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole (CID 134965137) is 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole.
What is the SMILES notation for 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole?
The canonical SMILES for 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole is Fc1ccc(-n2cc(-c3cccs3)cn2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole?
The InChIKey is HPDARABTMRWJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2S/c14-11-3-5-12(6-4-11)16-9-10(8-15-16)13-2-1-7-17-13/h1-9H.
What are the key properties of 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole?
1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole has a molecular weight of 244.29 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-thiophen-2-ylpyrazole is sourced from PubChem (CID 134965137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).