3-bromo-5-(difluoromethyl)-1H-pyrazole

C4H3BrF2N2 — CID 161115975

IUPAC3-bromo-5-(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1cc(Br)n[nH]1
InChIInChI=1S/C4H3BrF2N2/c5-3-1-2(4(6)7)8-9-3/h1,4H,(H,8,9)
InChIKeyUKHZYZNCAOTVPW-UHFFFAOYSA-N
MW196.98 g/mol
LogP2.11
Rot. Bonds1

About 3-bromo-5-(difluoromethyl)-1H-pyrazole

3-bromo-5-(difluoromethyl)-1H-pyrazole (PubChem CID 161115975) has the molecular formula C4H3BrF2N2 and a molecular weight of 196.98 g/mol. Its IUPAC name is 3-bromo-5-(difluoromethyl)-1H-pyrazole.

Molecular Properties

Compound Name3-bromo-5-(difluoromethyl)-1H-pyrazole
PubChem CID161115975
Molecular FormulaC4H3BrF2N2
Molecular Weight196.98 g/mol
Exact Mass195.94
IUPAC Name3-bromo-5-(difluoromethyl)-1H-pyrazole
SMILESFC(F)c1cc(Br)n[nH]1
InChIInChI=1S/C4H3BrF2N2/c5-3-1-2(4(6)7)8-9-3/h1,4H,(H,8,9)
InChIKeyUKHZYZNCAOTVPW-UHFFFAOYSA-N
XLogP2.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.98
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(difluoromethyl)-1H-pyrazole?
The IUPAC name of 3-bromo-5-(difluoromethyl)-1H-pyrazole (CID 161115975) is 3-bromo-5-(difluoromethyl)-1H-pyrazole.
What is the SMILES notation for 3-bromo-5-(difluoromethyl)-1H-pyrazole?
The canonical SMILES for 3-bromo-5-(difluoromethyl)-1H-pyrazole is FC(F)c1cc(Br)n[nH]1.
What is the InChIKey of 3-bromo-5-(difluoromethyl)-1H-pyrazole?
The InChIKey is UKHZYZNCAOTVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3BrF2N2/c5-3-1-2(4(6)7)8-9-3/h1,4H,(H,8,9).
What are the key properties of 3-bromo-5-(difluoromethyl)-1H-pyrazole?
3-bromo-5-(difluoromethyl)-1H-pyrazole has a molecular weight of 196.98 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(difluoromethyl)-1H-pyrazole is sourced from PubChem (CID 161115975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).