3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole

C11H9ClF2N2S — CID 2745438

IUPAC3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole
SMILESCc1cc(C(F)(F)Sc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C11H9ClF2N2S/c1-7-6-10(16-15-7)11(13,14)17-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
InChIKeyFPMAZDIFNXSQJU-UHFFFAOYSA-N
MW274.72 g/mol
LogP4.21
Rot. Bonds3

About 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole

3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole (PubChem CID 2745438) has the molecular formula C11H9ClF2N2S and a molecular weight of 274.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole
PubChem CID2745438
Molecular FormulaC11H9ClF2N2S
Molecular Weight274.72 g/mol
Exact Mass274.01
IUPAC Name3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole
SMILESCc1cc(C(F)(F)Sc2ccc(Cl)cc2)n[nH]1
InChIInChI=1S/C11H9ClF2N2S/c1-7-6-10(16-15-7)11(13,14)17-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16)
InChIKeyFPMAZDIFNXSQJU-UHFFFAOYSA-N
XLogP4.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)thio]-3,5-dimethyl-1H-pyrazole
CID 723106
4-((4-Chlorophenyl)thio)-3-methyl-1H-pyrazole
CID 2745107
1-[(z)-2-(4-Chlorophenylsulfanyl)-1,2-difluoro-vinyl]-3,5-dimethyl-1h-pyrazole
CID 129751214
3,5-Dimethyl-4-phenylsulfanyl-1H-pyrazole
CID 703428
4-(4-fluorophenyl)sulfanyl-3,5-dimethyl-1H-pyrazole
CID 60012079
3,5-diethyl-4-(4-fluorophenyl)sulfanyl-1H-pyrazole
CID 69773104
5-(4-chlorophenyl)-3-(3,4,4-trifluorobut-3-enylsulfanyl)-1H-pyrazole
CID 140295150
5-(phenylsulfanylmethyl)-3-(trifluoromethyl)-1H-pyrazole
CID 11032559
3-(5-chlorothiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 116861822
[5-[(4-fluorophenyl)sulfanylmethyl]-1H-pyrazol-3-yl]methanethiol
CID 139120904
5-[(E)-2-(4-chlorophenyl)ethenyl]-3-methylsulfanyl-1H-pyrazole
CID 15176066
5-[(E)-2-(2-chlorophenyl)ethenyl]-3-methylsulfanyl-1H-pyrazole
CID 15176069

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole?
The IUPAC name of 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole (CID 2745438) is 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole.
What is the SMILES notation for 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole?
The canonical SMILES for 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole is Cc1cc(C(F)(F)Sc2ccc(Cl)cc2)n[nH]1.
What is the InChIKey of 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole?
The InChIKey is FPMAZDIFNXSQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N2S/c1-7-6-10(16-15-7)11(13,14)17-9-4-2-8(12)3-5-9/h2-6H,1H3,(H,15,16).
What are the key properties of 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole?
3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole has a molecular weight of 274.72 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)sulfanyl-difluoromethyl]-5-methyl-1H-pyrazole is sourced from PubChem (CID 2745438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).