4-(1,1-difluoroethyl)-1H-pyrazole

C5H6F2N2 — CID 105427656

IUPAC4-(1,1-difluoroethyl)-1H-pyrazole
SMILESCC(F)(F)c1cn[nH]c1
InChIInChI=1S/C5H6F2N2/c1-5(6,7)4-2-8-9-3-4/h2-3H,1H3,(H,8,9)
InChIKeyZQXALPFRWSJBGT-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.52
Rot. Bonds1

About 4-(1,1-difluoroethyl)-1H-pyrazole

4-(1,1-difluoroethyl)-1H-pyrazole (PubChem CID 105427656) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-1H-pyrazole
PubChem CID105427656
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC Name4-(1,1-difluoroethyl)-1H-pyrazole
SMILESCC(F)(F)c1cn[nH]c1
InChIInChI=1S/C5H6F2N2/c1-5(6,7)4-2-8-9-3-4/h2-3H,1H3,(H,8,9)
InChIKeyZQXALPFRWSJBGT-UHFFFAOYSA-N
XLogP1.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-1H-pyrazole?
The IUPAC name of 4-(1,1-difluoroethyl)-1H-pyrazole (CID 105427656) is 4-(1,1-difluoroethyl)-1H-pyrazole.
What is the SMILES notation for 4-(1,1-difluoroethyl)-1H-pyrazole?
The canonical SMILES for 4-(1,1-difluoroethyl)-1H-pyrazole is CC(F)(F)c1cn[nH]c1.
What is the InChIKey of 4-(1,1-difluoroethyl)-1H-pyrazole?
The InChIKey is ZQXALPFRWSJBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2/c1-5(6,7)4-2-8-9-3-4/h2-3H,1H3,(H,8,9).
What are the key properties of 4-(1,1-difluoroethyl)-1H-pyrazole?
4-(1,1-difluoroethyl)-1H-pyrazole has a molecular weight of 132.11 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-1H-pyrazole is sourced from PubChem (CID 105427656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).