5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole

C14H9ClF2N2S — CID 18920364

IUPAC5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole
SMILESFC(F)c1cc(-c2ccc(Cl)s2)n(-c2ccccc2)n1
InChIInChI=1S/C14H9ClF2N2S/c15-13-7-6-12(20-13)11-8-10(14(16)17)18-19(11)9-4-2-1-3-5-9/h1-8,14H
InChIKeyFRQFKOHROVUUKX-UHFFFAOYSA-N
MW310.76 g/mol
LogP5.19
Rot. Bonds3

About 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole

5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole (PubChem CID 18920364) has the molecular formula C14H9ClF2N2S and a molecular weight of 310.76 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole
PubChem CID18920364
Molecular FormulaC14H9ClF2N2S
Molecular Weight310.76 g/mol
Exact Mass310.01
IUPAC Name5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole
SMILESFC(F)c1cc(-c2ccc(Cl)s2)n(-c2ccccc2)n1
InChIInChI=1S/C14H9ClF2N2S/c15-13-7-6-12(20-13)11-8-10(14(16)17)18-19(11)9-4-2-1-3-5-9/h1-8,14H
InChIKeyFRQFKOHROVUUKX-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.76
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(5-Chloro-thiophen-2-yl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 10716372
Methyl 4-[(4-chlorophenyl)diazenyl]-3-thiophen-2-yl-5-(trifluoromethyl)pyrazole-1-carbodithioate
CID 339362
5-(2,5-dichloro-3-thienyl)-1-(4-fluorophenyl)-1H-pyrazole
CID 1477321
5-(2,5-dichloro-3-thienyl)-1-(4-methylphenyl)-1H-pyrazole
CID 1488800
(E)-2-(4-chlorophenyl)sulfonyl-3-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]prop-2-enenitrile
CID 5897783
1-(4-Methylphenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812745
N-(4-chlorophenyl)-1-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]methanimine
CID 2821134
1-(4-Chlorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812744
1-Phenyl-3-(trifluoromethyl)-5-(2-thienyl)-1H-pyrazole
CID 2804164
1-(4-Fluorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812747
1-tert-Butyl-3-(trifluoromethyl)-5-(2-thienyl)-1H-pyrazole
CID 71508184
1-(4-Methanesulfonylphenyl)-5-thiophen-2-yl-3-trifluoromethyl-1h-pyrazole
CID 129885201

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole (CID 18920364) is 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole is FC(F)c1cc(-c2ccc(Cl)s2)n(-c2ccccc2)n1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole?
The InChIKey is FRQFKOHROVUUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N2S/c15-13-7-6-12(20-13)11-8-10(14(16)17)18-19(11)9-4-2-1-3-5-9/h1-8,14H.
What are the key properties of 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole?
5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole has a molecular weight of 310.76 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-3-(difluoromethyl)-1-phenylpyrazole is sourced from PubChem (CID 18920364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).