2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C17H20F2N4O — CID 56917012

IUPAC2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCN(C)Cc1cc2n(n1)CCN(C(=O)Cc1cccc(F)c1F)C2
InChIInChI=1S/C17H20F2N4O/c1-21(2)10-13-9-14-11-22(6-7-23(14)20-13)16(24)8-12-4-3-5-15(18)17(12)19/h3-5,9H,6-8,10-11H2,1-2H3
InChIKeySZXWMHMPHNBZNA-UHFFFAOYSA-N
MW334.37 g/mol
LogP1.81
Rot. Bonds4

About 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 56917012) has the molecular formula C17H20F2N4O and a molecular weight of 334.37 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID56917012
Molecular FormulaC17H20F2N4O
Molecular Weight334.37 g/mol
Exact Mass334.16
IUPAC Name2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESCN(C)Cc1cc2n(n1)CCN(C(=O)Cc1cccc(F)c1F)C2
InChIInChI=1S/C17H20F2N4O/c1-21(2)10-13-9-14-11-22(6-7-23(14)20-13)16(24)8-12-4-3-5-15(18)17(12)19/h3-5,9H,6-8,10-11H2,1-2H3
InChIKeySZXWMHMPHNBZNA-UHFFFAOYSA-N
XLogP1.81
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 56917012) is 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is CN(C)Cc1cc2n(n1)CCN(C(=O)Cc1cccc(F)c1F)C2.
What is the InChIKey of 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is SZXWMHMPHNBZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O/c1-21(2)10-13-9-14-11-22(6-7-23(14)20-13)16(24)8-12-4-3-5-15(18)17(12)19/h3-5,9H,6-8,10-11H2,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 334.37 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-1-[2-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 56917012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).