4,5-difluoro-1H-pyrazole

C3H2F2N2 — CID 12529273

IUPAC4,5-difluoro-1H-pyrazole
SMILESFc1cn[nH]c1F
InChIInChI=1S/C3H2F2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyMBHOIRVCRKWHSG-UHFFFAOYSA-N
MW104.06 g/mol
LogP0.69
Rot. Bonds

About 4,5-difluoro-1H-pyrazole

4,5-difluoro-1H-pyrazole (PubChem CID 12529273) has the molecular formula C3H2F2N2 and a molecular weight of 104.06 g/mol. Its IUPAC name is 4,5-difluoro-1H-pyrazole.

Molecular Properties

Compound Name4,5-difluoro-1H-pyrazole
PubChem CID12529273
Molecular FormulaC3H2F2N2
Molecular Weight104.06 g/mol
Exact Mass104.02
IUPAC Name4,5-difluoro-1H-pyrazole
SMILESFc1cn[nH]c1F
InChIInChI=1S/C3H2F2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7)
InChIKeyMBHOIRVCRKWHSG-UHFFFAOYSA-N
XLogP0.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.06
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-1H-pyrazole?
The IUPAC name of 4,5-difluoro-1H-pyrazole (CID 12529273) is 4,5-difluoro-1H-pyrazole.
What is the SMILES notation for 4,5-difluoro-1H-pyrazole?
The canonical SMILES for 4,5-difluoro-1H-pyrazole is Fc1cn[nH]c1F.
What is the InChIKey of 4,5-difluoro-1H-pyrazole?
The InChIKey is MBHOIRVCRKWHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F2N2/c4-2-1-6-7-3(2)5/h1H,(H,6,7).
What are the key properties of 4,5-difluoro-1H-pyrazole?
4,5-difluoro-1H-pyrazole has a molecular weight of 104.06 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-1H-pyrazole is sourced from PubChem (CID 12529273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).