4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine

C13H15F3N4O — CID 104733506

IUPAC4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cc2c(OCC3CCCCN3)nccn2n1
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)11-7-10-12(18-5-6-20(10)19-11)21-8-9-3-1-2-4-17-9/h5-7,9,17H,1-4,8H2
InChIKeyRBWHFESJCSCRAI-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.27
Rot. Bonds3

About 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine

4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (PubChem CID 104733506) has the molecular formula C13H15F3N4O and a molecular weight of 300.28 g/mol. Its IUPAC name is 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
PubChem CID104733506
Molecular FormulaC13H15F3N4O
Molecular Weight300.28 g/mol
Exact Mass300.12
IUPAC Name4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
SMILESFC(F)(F)c1cc2c(OCC3CCCCN3)nccn2n1
InChIInChI=1S/C13H15F3N4O/c14-13(15,16)11-7-10-12(18-5-6-20(10)19-11)21-8-9-3-1-2-4-17-9/h5-7,9,17H,1-4,8H2
InChIKeyRBWHFESJCSCRAI-UHFFFAOYSA-N
XLogP2.27
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104732422
N-cyclopentyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730383
2-(piperidin-2-ylmethoxy)pyridin-3-ol;hydrochloride
CID 71646420
3-chloro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)pyridine
CID 94406478
2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexane-1,2-diamine
CID 104732368
5-fluoro-2-(piperidin-2-ylmethoxy)pyrimidine;hydrochloride
CID 71643590
(2S)-2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 102820030
N-[(5-cyclopentyl-1,2-oxazol-3-yl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 166434337
1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]cyclopentane-1,2-diamine
CID 104732485
6-methoxy-1-(piperidin-2-ylmethoxy)isoquinoline
CID 106542068
2-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine;hydrochloride
CID 129319981
3-(piperidin-2-ylmethoxy)pyridazine-4-carbonitrile
CID 80516021

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The IUPAC name of 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine (CID 104733506) is 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is FC(F)(F)c1cc2c(OCC3CCCCN3)nccn2n1.
What is the InChIKey of 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
The InChIKey is RBWHFESJCSCRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O/c14-13(15,16)11-7-10-12(18-5-6-20(10)19-11)21-8-9-3-1-2-4-17-9/h5-7,9,17H,1-4,8H2.
What are the key properties of 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine?
4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine has a molecular weight of 300.28 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-2-ylmethoxy)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 104733506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).