N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C13H16F3N5 — CID 104732524

IUPACN-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCCC3CCNC3)nccn2n1
InChIInChI=1S/C13H16F3N5/c14-13(15,16)11-7-10-12(19-5-6-21(10)20-11)18-4-2-9-1-3-17-8-9/h5-7,9,17H,1-4,8H2,(H,18,19)
InChIKeyLKBVUDRNZHMYJD-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.16
Rot. Bonds4

About N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104732524) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104732524
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCCC3CCNC3)nccn2n1
InChIInChI=1S/C13H16F3N5/c14-13(15,16)11-7-10-12(19-5-6-21(10)20-11)18-4-2-9-1-3-17-8-9/h5-7,9,17H,1-4,8H2,(H,18,19)
InChIKeyLKBVUDRNZHMYJD-UHFFFAOYSA-N
XLogP2.16
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-cyclopropyl-N'-methyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104731399
1-tert-butyl-N-(2-pyrrolidin-3-ylethyl)imidazol-2-amine
CID 115041761
N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 154844787
N-[(3-chlorocyclobutyl)methyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104734009
3-[[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]methyl]cyclobutan-1-ol
CID 104731784
N-cyclopentyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730383
N-(2,2-dimethylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730934
N',N'-dimethyl-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]butane-1,4-diamine
CID 104731247
N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731532
N-(2-butoxyethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730942
2-tert-butyl-N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731973
N-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104732524) is N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)c1cc2c(NCCC3CCNC3)nccn2n1.
What is the InChIKey of N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is LKBVUDRNZHMYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c14-13(15,16)11-7-10-12(19-5-6-21(10)20-11)18-4-2-9-1-3-17-8-9/h5-7,9,17H,1-4,8H2,(H,18,19).
What are the key properties of N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 299.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-3-ylethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104732524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).