N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine

C13H16F3N5 — CID 104730750

IUPACN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)CN1CCC(CNc2nccn3nccc23)C1
InChIInChI=1S/C13H16F3N5/c14-13(15,16)9-20-5-2-10(8-20)7-18-12-11-1-3-19-21(11)6-4-17-12/h1,3-4,6,10H,2,5,7-9H2,(H,17,18)
InChIKeyAIHLEQXHQDPJBZ-UHFFFAOYSA-N
MW299.30 g/mol
LogP2.03
Rot. Bonds4

About N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine

N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730750) has the molecular formula C13H16F3N5 and a molecular weight of 299.30 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730750
Molecular FormulaC13H16F3N5
Molecular Weight299.30 g/mol
Exact Mass299.14
IUPAC NameN-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)CN1CCC(CNc2nccn3nccc23)C1
InChIInChI=1S/C13H16F3N5/c14-13(15,16)9-20-5-2-10(8-20)7-18-12-11-1-3-19-21(11)6-4-17-12/h1,3-4,6,10H,2,5,7-9H2,(H,17,18)
InChIKeyAIHLEQXHQDPJBZ-UHFFFAOYSA-N
XLogP2.03
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine (CID 104730750) is N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)CN1CCC(CNc2nccn3nccc23)C1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is AIHLEQXHQDPJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N5/c14-13(15,16)9-20-5-2-10(8-20)7-18-12-11-1-3-19-21(11)6-4-17-12/h1,3-4,6,10H,2,5,7-9H2,(H,17,18).
What are the key properties of N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine?
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 299.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).