3,5-bis(fluoromethyl)-1H-pyrazole

C5H6F2N2 — CID 68584687

IUPAC3,5-bis(fluoromethyl)-1H-pyrazole
SMILESFCc1cc(CF)[nH]n1
InChIInChI=1S/C5H6F2N2/c6-2-4-1-5(3-7)9-8-4/h1H,2-3H2,(H,8,9)
InChIKeyAATMNNCOUQFZEF-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.35
Rot. Bonds2

About 3,5-bis(fluoromethyl)-1H-pyrazole

3,5-bis(fluoromethyl)-1H-pyrazole (PubChem CID 68584687) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is 3,5-bis(fluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3,5-bis(fluoromethyl)-1H-pyrazole
PubChem CID68584687
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC Name3,5-bis(fluoromethyl)-1H-pyrazole
SMILESFCc1cc(CF)[nH]n1
InChIInChI=1S/C5H6F2N2/c6-2-4-1-5(3-7)9-8-4/h1H,2-3H2,(H,8,9)
InChIKeyAATMNNCOUQFZEF-UHFFFAOYSA-N
XLogP1.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(fluoromethyl)-1H-pyrazole?
The IUPAC name of 3,5-bis(fluoromethyl)-1H-pyrazole (CID 68584687) is 3,5-bis(fluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3,5-bis(fluoromethyl)-1H-pyrazole?
The canonical SMILES for 3,5-bis(fluoromethyl)-1H-pyrazole is FCc1cc(CF)[nH]n1.
What is the InChIKey of 3,5-bis(fluoromethyl)-1H-pyrazole?
The InChIKey is AATMNNCOUQFZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2/c6-2-4-1-5(3-7)9-8-4/h1H,2-3H2,(H,8,9).
What are the key properties of 3,5-bis(fluoromethyl)-1H-pyrazole?
3,5-bis(fluoromethyl)-1H-pyrazole has a molecular weight of 132.11 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(fluoromethyl)-1H-pyrazole is sourced from PubChem (CID 68584687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).