N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C11H9F3N6 — CID 104730831

IUPACN-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3cn[nH]c3)nccn2n1
InChIInChI=1S/C11H9F3N6/c12-11(13,14)9-3-8-10(15-1-2-20(8)19-9)16-4-7-5-17-18-6-7/h1-3,5-6H,4H2,(H,15,16)(H,17,18)
InChIKeyNIQGRLBQZIUWFF-UHFFFAOYSA-N
MW282.23 g/mol
LogP2.08
Rot. Bonds3

About N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104730831) has the molecular formula C11H9F3N6 and a molecular weight of 282.23 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104730831
Molecular FormulaC11H9F3N6
Molecular Weight282.23 g/mol
Exact Mass282.08
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NCc3cn[nH]c3)nccn2n1
InChIInChI=1S/C11H9F3N6/c12-11(13,14)9-3-8-10(15-1-2-20(8)19-9)16-4-7-5-17-18-6-7/h1-3,5-6H,4H2,(H,15,16)(H,17,18)
InChIKeyNIQGRLBQZIUWFF-UHFFFAOYSA-N
XLogP2.08
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.23
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 104730831) is N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)c1cc2c(NCc3cn[nH]c3)nccn2n1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is NIQGRLBQZIUWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N6/c12-11(13,14)9-3-8-10(15-1-2-20(8)19-9)16-4-7-5-17-18-6-7/h1-3,5-6H,4H2,(H,15,16)(H,17,18).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 282.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104730831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).