2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine

C12H16F2N4 — CID 113446406

IUPAC2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCC(F)F)nccn2n1
InChIInChI=1S/C12H16F2N4/c1-12(2,3)9-6-8-11(16-7-10(13)14)15-4-5-18(8)17-9/h4-6,10H,7H2,1-3H3,(H,15,16)
InChIKeyIFNSXBRWCNDGSB-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.70
Rot. Bonds3

About 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine

2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 113446406) has the molecular formula C12H16F2N4 and a molecular weight of 254.28 g/mol. Its IUPAC name is 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID113446406
Molecular FormulaC12H16F2N4
Molecular Weight254.28 g/mol
Exact Mass254.13
IUPAC Name2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)(C)c1cc2c(NCC(F)F)nccn2n1
InChIInChI=1S/C12H16F2N4/c1-12(2,3)9-6-8-11(16-7-10(13)14)15-4-5-18(8)17-9/h4-6,10H,7H2,1-3H3,(H,15,16)
InChIKeyIFNSXBRWCNDGSB-UHFFFAOYSA-N
XLogP2.70
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 113446406) is 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(C)(C)c1cc2c(NCC(F)F)nccn2n1.
What is the InChIKey of 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is IFNSXBRWCNDGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N4/c1-12(2,3)9-6-8-11(16-7-10(13)14)15-4-5-18(8)17-9/h4-6,10H,7H2,1-3H3,(H,15,16).
What are the key properties of 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine?
2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 254.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 113446406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).