5-(fluoromethylsulfanyl)-1H-pyrazole

C4H5FN2S — CID 54182567

IUPAC5-(fluoromethylsulfanyl)-1H-pyrazole
SMILESFCSc1ccn[nH]1
InChIInChI=1S/C4H5FN2S/c5-3-8-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
InChIKeyPCVSKEZSCZAYAW-UHFFFAOYSA-N
MW132.16 g/mol
LogP1.43
Rot. Bonds2

About 5-(fluoromethylsulfanyl)-1H-pyrazole

5-(fluoromethylsulfanyl)-1H-pyrazole (PubChem CID 54182567) has the molecular formula C4H5FN2S and a molecular weight of 132.16 g/mol. Its IUPAC name is 5-(fluoromethylsulfanyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(fluoromethylsulfanyl)-1H-pyrazole
PubChem CID54182567
Molecular FormulaC4H5FN2S
Molecular Weight132.16 g/mol
Exact Mass132.02
IUPAC Name5-(fluoromethylsulfanyl)-1H-pyrazole
SMILESFCSc1ccn[nH]1
InChIInChI=1S/C4H5FN2S/c5-3-8-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)
InChIKeyPCVSKEZSCZAYAW-UHFFFAOYSA-N
XLogP1.43
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethylsulfanyl)-1H-pyrazole?
The IUPAC name of 5-(fluoromethylsulfanyl)-1H-pyrazole (CID 54182567) is 5-(fluoromethylsulfanyl)-1H-pyrazole.
What is the SMILES notation for 5-(fluoromethylsulfanyl)-1H-pyrazole?
The canonical SMILES for 5-(fluoromethylsulfanyl)-1H-pyrazole is FCSc1ccn[nH]1.
What is the InChIKey of 5-(fluoromethylsulfanyl)-1H-pyrazole?
The InChIKey is PCVSKEZSCZAYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2S/c5-3-8-4-1-2-6-7-4/h1-2H,3H2,(H,6,7).
What are the key properties of 5-(fluoromethylsulfanyl)-1H-pyrazole?
5-(fluoromethylsulfanyl)-1H-pyrazole has a molecular weight of 132.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethylsulfanyl)-1H-pyrazole is sourced from PubChem (CID 54182567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).