5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole

C11H10ClFN2S — CID 18690744

IUPAC5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole
SMILESCSc1n[nH]c(-c2ccc(Cl)cc2F)c1C
InChIInChI=1S/C11H10ClFN2S/c1-6-10(14-15-11(6)16-2)8-4-3-7(12)5-9(8)13/h3-5H,1-2H3,(H,14,15)
InChIKeyAFCVWJCXSJQKBQ-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.90
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole

5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole (PubChem CID 18690744) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole
PubChem CID18690744
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole
SMILESCSc1n[nH]c(-c2ccc(Cl)cc2F)c1C
InChIInChI=1S/C11H10ClFN2S/c1-6-10(14-15-11(6)16-2)8-4-3-7(12)5-9(8)13/h3-5H,1-2H3,(H,14,15)
InChIKeyAFCVWJCXSJQKBQ-UHFFFAOYSA-N
XLogP3.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole (CID 18690744) is 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole is CSc1n[nH]c(-c2ccc(Cl)cc2F)c1C.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole?
The InChIKey is AFCVWJCXSJQKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-6-10(14-15-11(6)16-2)8-4-3-7(12)5-9(8)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole?
5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole has a molecular weight of 256.73 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-4-methyl-3-methylsulfanyl-1H-pyrazole is sourced from PubChem (CID 18690744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).