N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

C19H19FN4O3 — CID 121499874

IUPACN-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc3cccc(F)c3o1)C2
InChIInChI=1S/C19H19FN4O3/c1-2-17(25)21-10-13-9-14-11-23(6-7-24(14)22-13)19(26)16-8-12-4-3-5-15(20)18(12)27-16/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,21,25)
InChIKeyZHTBXOKRYBICJZ-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.45
Rot. Bonds4

About N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide

N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (PubChem CID 121499874) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
PubChem CID121499874
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide
SMILESCCC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc3cccc(F)c3o1)C2
InChIInChI=1S/C19H19FN4O3/c1-2-17(25)21-10-13-9-14-11-23(6-7-24(14)22-13)19(26)16-8-12-4-3-5-15(20)18(12)27-16/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,21,25)
InChIKeyZHTBXOKRYBICJZ-UHFFFAOYSA-N
XLogP2.45
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The IUPAC name of N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide (CID 121499874) is N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide.
What is the SMILES notation for N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The canonical SMILES for N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is CCC(=O)NCc1cc2n(n1)CCN(C(=O)c1cc3cccc(F)c3o1)C2.
What is the InChIKey of N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
The InChIKey is ZHTBXOKRYBICJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-2-17(25)21-10-13-9-14-11-23(6-7-24(14)22-13)19(26)16-8-12-4-3-5-15(20)18(12)27-16/h3-5,8-9H,2,6-7,10-11H2,1H3,(H,21,25).
What are the key properties of N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide?
N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide has a molecular weight of 370.38 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(7-fluoro-1-benzofuran-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]propanamide is sourced from PubChem (CID 121499874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).