1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole

C12H12ClFN2S — CID 169057931

IUPAC1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole
SMILESCCCSc1cc(F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClFN2S/c1-2-7-17-12-8-11(14)16(15-12)10-5-3-9(13)4-6-10/h3-6,8H,2,7H2,1H3
InChIKeyLBHMAPWDMBXKQO-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.17
Rot. Bonds4

About 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole

1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole (PubChem CID 169057931) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole
PubChem CID169057931
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole
SMILESCCCSc1cc(F)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C12H12ClFN2S/c1-2-7-17-12-8-11(14)16(15-12)10-5-3-9(13)4-6-10/h3-6,8H,2,7H2,1H3
InChIKeyLBHMAPWDMBXKQO-UHFFFAOYSA-N
XLogP4.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole
CID 2116869
1-(4-Chlorophenyl)-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 2812744
1-[(z)-2-(4-Chlorophenylsulfanyl)-1,2-difluoro-vinyl]-3,5-dimethyl-1h-pyrazole
CID 129751214
1-(4-Chloro-2-fluorophenyl)-3,5-dimethyl-1H-pyrazole
CID 76316110
5-Chloro-1-(4-chloro-2-fluorophenyl)-3-methylpyrazole
CID 13769105
1-(4-Chlorophenyl)-3-methyl-5-(trifluoromethyl)pyrazole
CID 14668996
3-Chloro-2-(4-chloro-2-fluorophenyl)-2,4,6,7-tetrahydro-thiopyrano[4,3-c]pyrazole
CID 21417205
2-(4-Chloro-2-fluorophenyl)-3-methylsulfanyl-4,5,6,7-tetrahydroindazole
CID 22762230
2-(4-chloro-2-fluorophenyl)-3-methylsulfanyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 22762236
3-[2-Phenyl-5-(trifluoromethyl)pyrazol-3-yl]sulfanylpropane-1-thiol
CID 46174962
3-[2-(4-Chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]sulfanylpropane-1-thiol
CID 46174963
3-Chloro-1-(2-fluorophenyl)-5-methylpyrazole
CID 59022674

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole?
The IUPAC name of 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole (CID 169057931) is 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole is CCCSc1cc(F)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole?
The InChIKey is LBHMAPWDMBXKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-2-7-17-12-8-11(14)16(15-12)10-5-3-9(13)4-6-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole?
1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole has a molecular weight of 270.76 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-fluoro-3-propylsulfanylpyrazole is sourced from PubChem (CID 169057931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).