4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

C13H12F3N5 — CID 141494795

IUPAC4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(n1cc(-c2nccn3nccc23)cn1)C(F)(F)F
InChIInChI=1S/C13H12F3N5/c1-2-11(13(14,15)16)21-8-9(7-19-21)12-10-3-4-18-20(10)6-5-17-12/h3-8,11H,2H2,1H3
InChIKeyLEPBPXQGGWBGIU-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.11
Rot. Bonds3

About 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine

4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (PubChem CID 141494795) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
PubChem CID141494795
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine
SMILESCCC(n1cc(-c2nccn3nccc23)cn1)C(F)(F)F
InChIInChI=1S/C13H12F3N5/c1-2-11(13(14,15)16)21-8-9(7-19-21)12-10-3-4-18-20(10)6-5-17-12/h3-8,11H,2H2,1H3
InChIKeyLEPBPXQGGWBGIU-UHFFFAOYSA-N
XLogP3.11
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(Cyanomethyl)-3-(4-(6-(1-methylpyrazol-4-yl)pyrazolo(1,5-a)pyrazin-4-yl)pyrazol-1-yl)cyclobutane-1-carbonitrile
CID 130339268
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 73504556
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-(pyrazin-2-ylmethyl)indazole
CID 73504557
7-Fluoro-3-[2-fluoro-5-(trifluoromethyl)phenyl]-1-(pyrazin-2-ylmethyl)indazole
CID 134611927
2-[3-[4-[6-(1-Methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
CID 155804555
5-(1-methylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253921
3-methyl-5-(1H-pyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridine
CID 71512722
5-Fluoro-1-pyridin-3-ylindazole
CID 76286753
5-Fluoro-1-(5-fluoro-3-pyridinyl)indazole
CID 90252839
5-Fluoro-1-[5-(trifluoromethyl)pyridin-3-yl]indazole
CID 90252954
US10144738, Example 7
CID 130339265
US10144738, Example 11
CID 130339270

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine (CID 141494795) is 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is CCC(n1cc(-c2nccn3nccc23)cn1)C(F)(F)F.
What is the InChIKey of 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
The InChIKey is LEPBPXQGGWBGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c1-2-11(13(14,15)16)21-8-9(7-19-21)12-10-3-4-18-20(10)6-5-17-12/h3-8,11H,2H2,1H3.
What are the key properties of 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine?
4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine has a molecular weight of 295.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,1,1-trifluorobutan-2-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 141494795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).