4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine

C12H9BrF3N5 — CID 104732974

IUPAC4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESCc1nn(-c2nccn3nc(C(F)(F)F)cc23)c(C)c1Br
InChIInChI=1S/C12H9BrF3N5/c1-6-10(13)7(2)21(18-6)11-8-5-9(12(14,15)16)19-20(8)4-3-17-11/h3-5H,1-2H3
InChIKeyMXUHUWUEEYTORI-UHFFFAOYSA-N
MW360.14 g/mol
LogP3.31
Rot. Bonds1

About 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (PubChem CID 104732974) has the molecular formula C12H9BrF3N5 and a molecular weight of 360.14 g/mol. Its IUPAC name is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
PubChem CID104732974
Molecular FormulaC12H9BrF3N5
Molecular Weight360.14 g/mol
Exact Mass359.00
IUPAC Name4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESCc1nn(-c2nccn3nc(C(F)(F)F)cc23)c(C)c1Br
InChIInChI=1S/C12H9BrF3N5/c1-6-10(13)7(2)21(18-6)11-8-5-9(12(14,15)16)19-20(8)4-3-17-11/h3-5H,1-2H3
InChIKeyMXUHUWUEEYTORI-UHFFFAOYSA-N
XLogP3.31
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.14
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-bromopyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732969
1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-3-amine
CID 104733191
[1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 104733756
[3-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-2-yl]methanol
CID 102787102
N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine
CID 104732778
(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol
CID 104892889
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-methyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566088
4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732607
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-(trifluoromethyl)pyridine
CID 66328894
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
6-methyl-4-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-2-one
CID 139019410
2-methyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanoic acid
CID 104729415

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (CID 104732974) is 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is Cc1nn(-c2nccn3nc(C(F)(F)F)cc23)c(C)c1Br.
What is the InChIKey of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is MXUHUWUEEYTORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrF3N5/c1-6-10(13)7(2)21(18-6)11-8-5-9(12(14,15)16)19-20(8)4-3-17-11/h3-5H,1-2H3.
What are the key properties of 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 360.14 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104732974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).