4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole

C9H5Br2F3N2S — CID 2819997

IUPAC4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(Br)s2)c(Br)c1C(F)(F)F
InChIInChI=1S/C9H5Br2F3N2S/c1-16-8(9(12,13)14)6(11)7(15-16)4-2-3-5(10)17-4/h2-3H,1H3
InChIKeyVHVIZVRHNLZLHJ-UHFFFAOYSA-N
MW390.02 g/mol
LogP4.69
Rot. Bonds1

About 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole

4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 2819997) has the molecular formula C9H5Br2F3N2S and a molecular weight of 390.02 g/mol. Its IUPAC name is 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID2819997
Molecular FormulaC9H5Br2F3N2S
Molecular Weight390.02 g/mol
Exact Mass387.85
IUPAC Name4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(Br)s2)c(Br)c1C(F)(F)F
InChIInChI=1S/C9H5Br2F3N2S/c1-16-8(9(12,13)14)6(11)7(15-16)4-2-3-5(10)17-4/h2-3H,1H3
InChIKeyVHVIZVRHNLZLHJ-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.02
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-5-(thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 155893904
2-[[5-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]-2-thienyl]methylene]propanedinitrile
CID 2821035
1-Methyl-5-thiophen-2-yl-3-(trifluoromethyl)pyrazole
CID 4076860
5-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl)thiophene-2-carbonitrile
CID 74766090
2-[[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methylidene]propanedinitrile
CID 2821014
1-methyl-3-(thiophen-2-yl)-5-(trifluoromethyl)-1H-pyrazole
CID 2780594
1-Methyl-5-(5-propan-2-ylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 20645359
1-Methyl-5-(5-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 20767953
1-Methyl-3-(5-propan-2-ylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
CID 21051085
3-(5-Tert-butylthiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole
CID 21129868
1-Methyl-3-(5-methylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
CID 21337158
1-Methyl-3-[5-(2-methylpropyl)thiophen-2-yl]-5-(trifluoromethyl)pyrazole
CID 22087725

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole (CID 2819997) is 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole is Cn1nc(-c2ccc(Br)s2)c(Br)c1C(F)(F)F.
What is the InChIKey of 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is VHVIZVRHNLZLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Br2F3N2S/c1-16-8(9(12,13)14)6(11)7(15-16)4-2-3-5(10)17-4/h2-3H,1H3.
What are the key properties of 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole?
4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 390.02 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-(5-bromothiophen-2-yl)-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 2819997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).