4-(3,4-difluorophenyl)-1H-pyrazole

C9H6F2N2 — CID 83808346

IUPAC4-(3,4-difluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cn[nH]c2)cc1F
InChIInChI=1S/C9H6F2N2/c10-8-2-1-6(3-9(8)11)7-4-12-13-5-7/h1-5H,(H,12,13)
InChIKeyZSIUVZFTJKJXLT-UHFFFAOYSA-N
MW180.16 g/mol
LogP2.35
Rot. Bonds1

About 4-(3,4-difluorophenyl)-1H-pyrazole

4-(3,4-difluorophenyl)-1H-pyrazole (PubChem CID 83808346) has the molecular formula C9H6F2N2 and a molecular weight of 180.16 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1H-pyrazole
PubChem CID83808346
Molecular FormulaC9H6F2N2
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Name4-(3,4-difluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cn[nH]c2)cc1F
InChIInChI=1S/C9H6F2N2/c10-8-2-1-6(3-9(8)11)7-4-12-13-5-7/h1-5H,(H,12,13)
InChIKeyZSIUVZFTJKJXLT-UHFFFAOYSA-N
XLogP2.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1H-pyrazole?
The IUPAC name of 4-(3,4-difluorophenyl)-1H-pyrazole (CID 83808346) is 4-(3,4-difluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-1H-pyrazole is Fc1ccc(-c2cn[nH]c2)cc1F.
What is the InChIKey of 4-(3,4-difluorophenyl)-1H-pyrazole?
The InChIKey is ZSIUVZFTJKJXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2/c10-8-2-1-6(3-9(8)11)7-4-12-13-5-7/h1-5H,(H,12,13).
What are the key properties of 4-(3,4-difluorophenyl)-1H-pyrazole?
4-(3,4-difluorophenyl)-1H-pyrazole has a molecular weight of 180.16 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1H-pyrazole is sourced from PubChem (CID 83808346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).