2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine

C14H19FN6 — CID 133140766

IUPAC2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CN(c2ncc(F)cn2)Cc2ccnn21
InChIInChI=1S/C14H19FN6/c1-19(2)6-4-13-10-20(9-12-3-5-18-21(12)13)14-16-7-11(15)8-17-14/h3,5,7-8,13H,4,6,9-10H2,1-2H3
InChIKeySUAKICBJHJJEGS-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.33
Rot. Bonds4

About 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine

2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine (PubChem CID 133140766) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine
PubChem CID133140766
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine
SMILESCN(C)CCC1CN(c2ncc(F)cn2)Cc2ccnn21
InChIInChI=1S/C14H19FN6/c1-19(2)6-4-13-10-20(9-12-3-5-18-21(12)13)14-16-7-11(15)8-17-14/h3,5,7-8,13H,4,6,9-10H2,1-2H3
InChIKeySUAKICBJHJJEGS-UHFFFAOYSA-N
XLogP1.33
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine (CID 133140766) is 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine is CN(C)CCC1CN(c2ncc(F)cn2)Cc2ccnn21.
What is the InChIKey of 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine?
The InChIKey is SUAKICBJHJJEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-19(2)6-4-13-10-20(9-12-3-5-18-21(12)13)14-16-7-11(15)8-17-14/h3,5,7-8,13H,4,6,9-10H2,1-2H3.
What are the key properties of 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine?
2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine has a molecular weight of 290.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 133140766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).