5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole

C11H11FN2S — CID 146095489

IUPAC5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole
SMILESCc1ccc(F)cc1SCc1ccn[nH]1
InChIInChI=1S/C11H11FN2S/c1-8-2-3-9(12)6-11(8)15-7-10-4-5-13-14-10/h2-6H,7H2,1H3,(H,13,14)
InChIKeySNNYGAFORAVPLX-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.15
Rot. Bonds3

About 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole

5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole (PubChem CID 146095489) has the molecular formula C11H11FN2S and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole
PubChem CID146095489
Molecular FormulaC11H11FN2S
Molecular Weight222.29 g/mol
Exact Mass222.06
IUPAC Name5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole
SMILESCc1ccc(F)cc1SCc1ccn[nH]1
InChIInChI=1S/C11H11FN2S/c1-8-2-3-9(12)6-11(8)15-7-10-4-5-13-14-10/h2-6H,7H2,1H3,(H,13,14)
InChIKeySNNYGAFORAVPLX-UHFFFAOYSA-N
XLogP3.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole?
The IUPAC name of 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole (CID 146095489) is 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole.
What is the SMILES notation for 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole?
The canonical SMILES for 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole is Cc1ccc(F)cc1SCc1ccn[nH]1.
What is the InChIKey of 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole?
The InChIKey is SNNYGAFORAVPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2S/c1-8-2-3-9(12)6-11(8)15-7-10-4-5-13-14-10/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole?
5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole has a molecular weight of 222.29 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2-methylphenyl)sulfanylmethyl]-1H-pyrazole is sourced from PubChem (CID 146095489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).