N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine

C12H15F2N5 — CID 164559314

IUPACN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine
SMILESFC1(F)CCN(CCNc2cn3nccc3cn2)C1
InChIInChI=1S/C12H15F2N5/c13-12(14)2-5-18(9-12)6-4-15-11-8-19-10(7-16-11)1-3-17-19/h1,3,7-8,15H,2,4-6,9H2
InChIKeyDLQUDGZUDAGETH-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.48
Rot. Bonds4

About N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine

N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine (PubChem CID 164559314) has the molecular formula C12H15F2N5 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine.

Molecular Properties

Compound NameN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine
PubChem CID164559314
Molecular FormulaC12H15F2N5
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC NameN-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine
SMILESFC1(F)CCN(CCNc2cn3nccc3cn2)C1
InChIInChI=1S/C12H15F2N5/c13-12(14)2-5-18(9-12)6-4-15-11-8-19-10(7-16-11)1-3-17-19/h1,3,7-8,15H,2,4-6,9H2
InChIKeyDLQUDGZUDAGETH-UHFFFAOYSA-N
XLogP1.48
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine?
The IUPAC name of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine (CID 164559314) is N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine.
What is the SMILES notation for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine?
The canonical SMILES for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine is FC1(F)CCN(CCNc2cn3nccc3cn2)C1.
What is the InChIKey of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine?
The InChIKey is DLQUDGZUDAGETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N5/c13-12(14)2-5-18(9-12)6-4-15-11-8-19-10(7-16-11)1-3-17-19/h1,3,7-8,15H,2,4-6,9H2.
What are the key properties of N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine?
N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine has a molecular weight of 267.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine is sourced from PubChem (CID 164559314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).