5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole

C15H9BrF2N2 — CID 135133084

IUPAC5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(-c3ccccc3Br)[nH]n2)cc1F
InChIInChI=1S/C15H9BrF2N2/c16-11-4-2-1-3-10(11)15-8-14(19-20-15)9-5-6-12(17)13(18)7-9/h1-8H,(H,19,20)
InChIKeyIGCUSVYRQKOSJM-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.78
Rot. Bonds2

About 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole

5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole (PubChem CID 135133084) has the molecular formula C15H9BrF2N2 and a molecular weight of 335.15 g/mol. Its IUPAC name is 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole
PubChem CID135133084
Molecular FormulaC15H9BrF2N2
Molecular Weight335.15 g/mol
Exact Mass333.99
IUPAC Name5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2cc(-c3ccccc3Br)[nH]n2)cc1F
InChIInChI=1S/C15H9BrF2N2/c16-11-4-2-1-3-10(11)15-8-14(19-20-15)9-5-6-12(17)13(18)7-9/h1-8H,(H,19,20)
InChIKeyIGCUSVYRQKOSJM-UHFFFAOYSA-N
XLogP4.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole?
The IUPAC name of 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole (CID 135133084) is 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole.
What is the SMILES notation for 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole?
The canonical SMILES for 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole is Fc1ccc(-c2cc(-c3ccccc3Br)[nH]n2)cc1F.
What is the InChIKey of 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole?
The InChIKey is IGCUSVYRQKOSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9BrF2N2/c16-11-4-2-1-3-10(11)15-8-14(19-20-15)9-5-6-12(17)13(18)7-9/h1-8H,(H,19,20).
What are the key properties of 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole?
5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole has a molecular weight of 335.15 g/mol, XLogP of 4.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-3-(3,4-difluorophenyl)-1H-pyrazole is sourced from PubChem (CID 135133084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).