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

C9H5BrF2N2 — CID 66521494

IUPAC4-bromo-1-(3,4-difluorophenyl)pyrazole
SMILESFc1ccc(-n2cc(Br)cn2)cc1F
InChIInChI=1S/C9H5BrF2N2/c10-6-4-13-14(5-6)7-1-2-8(11)9(12)3-7/h1-5H
InChIKeyYITFSKSCHNPCLC-UHFFFAOYSA-N
MW259.05 g/mol
LogP2.91
Rot. Bonds1

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

4-bromo-1-(3,4-difluorophenyl)pyrazole (PubChem CID 66521494) has the molecular formula C9H5BrF2N2 and a molecular weight of 259.05 g/mol. Its IUPAC name is 4-bromo-1-(3,4-difluorophenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-(3,4-difluorophenyl)pyrazole
PubChem CID66521494
Molecular FormulaC9H5BrF2N2
Molecular Weight259.05 g/mol
Exact Mass257.96
IUPAC Name4-bromo-1-(3,4-difluorophenyl)pyrazole
SMILESFc1ccc(-n2cc(Br)cn2)cc1F
InChIInChI=1S/C9H5BrF2N2/c10-6-4-13-14(5-6)7-1-2-8(11)9(12)3-7/h1-5H
InChIKeyYITFSKSCHNPCLC-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.05
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(3,4-difluorophenyl)pyrazole?
The IUPAC name of 4-bromo-1-(3,4-difluorophenyl)pyrazole (CID 66521494) is 4-bromo-1-(3,4-difluorophenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-(3,4-difluorophenyl)pyrazole?
The canonical SMILES for 4-bromo-1-(3,4-difluorophenyl)pyrazole is Fc1ccc(-n2cc(Br)cn2)cc1F.
What is the InChIKey of 4-bromo-1-(3,4-difluorophenyl)pyrazole?
The InChIKey is YITFSKSCHNPCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrF2N2/c10-6-4-13-14(5-6)7-1-2-8(11)9(12)3-7/h1-5H.
What are the key properties of 4-bromo-1-(3,4-difluorophenyl)pyrazole?
4-bromo-1-(3,4-difluorophenyl)pyrazole has a molecular weight of 259.05 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(3,4-difluorophenyl)pyrazole is sourced from PubChem (CID 66521494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).