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

C11H11F3N4S — CID 103063436

IUPACN-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NC3CCSC3)nccn2n1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)9-5-8-10(15-2-3-18(8)17-9)16-7-1-4-19-6-7/h2-3,5,7H,1,4,6H2,(H,15,16)
InChIKeyFCULCZJTZQFJJI-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.67
Rot. Bonds2

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

N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 103063436) has the molecular formula C11H11F3N4S and a molecular weight of 288.30 g/mol. Its IUPAC name is N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID103063436
Molecular FormulaC11H11F3N4S
Molecular Weight288.30 g/mol
Exact Mass288.07
IUPAC NameN-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESFC(F)(F)c1cc2c(NC3CCSC3)nccn2n1
InChIInChI=1S/C11H11F3N4S/c12-11(13,14)9-5-8-10(15-2-3-18(8)17-9)16-7-1-4-19-6-7/h2-3,5,7H,1,4,6H2,(H,15,16)
InChIKeyFCULCZJTZQFJJI-UHFFFAOYSA-N
XLogP2.67
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 103063436) is N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is FC(F)(F)c1cc2c(NC3CCSC3)nccn2n1.
What is the InChIKey of N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is FCULCZJTZQFJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4S/c12-11(13,14)9-5-8-10(15-2-3-18(8)17-9)16-7-1-4-19-6-7/h2-3,5,7H,1,4,6H2,(H,15,16).
What are the key properties of N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 288.30 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiolan-3-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 103063436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).