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

C9H6BrF3N2S — CID 116861950

IUPAC5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(Br)s1
InChIInChI=1S/C9H6BrF3N2S/c1-15-5(6-2-3-8(10)16-6)4-7(14-15)9(11,12)13/h2-4H,1H3
InChIKeyQTXSAXOVBRMOBL-UHFFFAOYSA-N
MW311.13 g/mol
LogP3.93
Rot. Bonds1

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

5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole (PubChem CID 116861950) has the molecular formula C9H6BrF3N2S and a molecular weight of 311.13 g/mol. Its IUPAC name is 5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
PubChem CID116861950
Molecular FormulaC9H6BrF3N2S
Molecular Weight311.13 g/mol
Exact Mass309.94
IUPAC Name5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(Br)s1
InChIInChI=1S/C9H6BrF3N2S/c1-15-5(6-2-3-8(10)16-6)4-7(14-15)9(11,12)13/h2-4H,1H3
InChIKeyQTXSAXOVBRMOBL-UHFFFAOYSA-N
XLogP3.93
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.13
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-propan-2-ylthiophene-2-sulfonamide
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5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-prop-2-ynylthiophene-2-carboxamide
CID 3859816
5-(2-bromo-4-fluorophenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 155293864
2-fluoro-N-[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]benzamide
CID 56847745
1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole
CID 136967042
1-methyl-5-(3-methylthiophen-2-yl)-3-(trifluoromethyl)pyrazole
CID 116861982
5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861952
2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
(3S)-3-[[5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophen-2-yl]sulfonylamino]pentanoic acid
CID 89472605
3-(1,1-difluoroethyl)-1-methyl-5-thiophen-2-ylpyrazole
CID 69087337
5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-(2-piperidin-1-ylphenyl)thiophene-2-carboxamide
CID 74226495
ethane;1-methyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole (CID 116861950) is 5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole is Cn1nc(C(F)(F)F)cc1-c1ccc(Br)s1.
What is the InChIKey of 5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
The InChIKey is QTXSAXOVBRMOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF3N2S/c1-15-5(6-2-3-8(10)16-6)4-7(14-15)9(11,12)13/h2-4H,1H3.
What are the key properties of 5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole?
5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole has a molecular weight of 311.13 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromothiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 116861950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).