4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine

C13H16F3N5 — CID 104732607

IUPAC4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESCC1CN(c2nccn3nc(C(F)(F)F)cc23)C(C)CN1
InChIInChI=1S/C13H16F3N5/c1-8-7-20(9(2)6-18-8)12-10-5-11(13(14,15)16)19-21(10)4-3-17-12/h3-5,8-9,18H,6-7H2,1-2H3
InChIKeySVTBFVUUMOIIMS-UHFFFAOYSA-N
MW299.30 g/mol
LogP1.93
Rot. Bonds1

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

4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (PubChem CID 104732607) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is 4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
PubChem CID104732607
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC Name4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESCC1CN(c2nccn3nc(C(F)(F)F)cc23)C(C)CN1
InChIInChI=1S/C13H16F3N5/c1-8-7-20(9(2)6-18-8)12-10-5-11(13(14,15)16)19-21(10)4-3-17-12/h3-5,8-9,18H,6-7H2,1-2H3
InChIKeySVTBFVUUMOIIMS-UHFFFAOYSA-N
XLogP1.93
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (CID 104732607) is 4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is CC1CN(c2nccn3nc(C(F)(F)F)cc23)C(C)CN1.
What is the InChIKey of 4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is SVTBFVUUMOIIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c1-8-7-20(9(2)6-18-8)12-10-5-11(13(14,15)16)19-21(10)4-3-17-12/h3-5,8-9,18H,6-7H2,1-2H3.
What are the key properties of 4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 299.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104732607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).