2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

C16H19FN4O — CID 53185492

IUPAC2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCN(C)CC(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C16H19FN4O/c1-20(2)10-15(22)21-8-7-14-13(9-21)16(19-18-14)11-3-5-12(17)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyNQYQTVSAJGQKOF-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.66
Rot. Bonds3

About 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone

2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 53185492) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID53185492
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCN(C)CC(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1
InChIInChI=1S/C16H19FN4O/c1-20(2)10-15(22)21-8-7-14-13(9-21)16(19-18-14)11-3-5-12(17)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,19)
InChIKeyNQYQTVSAJGQKOF-UHFFFAOYSA-N
XLogP1.66
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 53185492) is 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is CN(C)CC(=O)N1CCc2[nH]nc(-c3ccc(F)cc3)c2C1.
What is the InChIKey of 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is NQYQTVSAJGQKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-20(2)10-15(22)21-8-7-14-13(9-21)16(19-18-14)11-3-5-12(17)6-4-11/h3-6H,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone?
2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 302.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[3-(4-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 53185492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).