1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C18H22FN3O — CID 70450603

IUPAC1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C18H22FN3O/c1-3-4-10-22-17-9-11-21(13(2)23)12-16(17)18(20-22)14-5-7-15(19)8-6-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyQFKARDWMWOEJEJ-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.39
Rot. Bonds4

About 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 70450603) has the molecular formula C18H22FN3O and a molecular weight of 315.39 g/mol. Its IUPAC name is 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID70450603
Molecular FormulaC18H22FN3O
Molecular Weight315.39 g/mol
Exact Mass315.17
IUPAC Name1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C18H22FN3O/c1-3-4-10-22-17-9-11-21(13(2)23)12-16(17)18(20-22)14-5-7-15(19)8-6-14/h5-8H,3-4,9-12H2,1-2H3
InChIKeyQFKARDWMWOEJEJ-UHFFFAOYSA-N
XLogP3.39
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 70450603) is 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is QFKARDWMWOEJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O/c1-3-4-10-22-17-9-11-21(13(2)23)12-16(17)18(20-22)14-5-7-15(19)8-6-14/h5-8H,3-4,9-12H2,1-2H3.
What are the key properties of 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 315.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-butyl-3-(4-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 70450603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).