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

C19H24FN3O — CID 56996472

IUPAC1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C19H24FN3O/c1-3-4-5-11-23-18-10-12-22(14(2)24)13-17(18)19(21-23)15-6-8-16(20)9-7-15/h6-9H,3-5,10-13H2,1-2H3
InChIKeyBBFHQJSVPLHZGF-UHFFFAOYSA-N
MW329.42 g/mol
LogP3.78
Rot. Bonds5

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

1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 56996472) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID56996472
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C19H24FN3O/c1-3-4-5-11-23-18-10-12-22(14(2)24)13-17(18)19(21-23)15-6-8-16(20)9-7-15/h6-9H,3-5,10-13H2,1-2H3
InChIKeyBBFHQJSVPLHZGF-UHFFFAOYSA-N
XLogP3.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 56996472) is 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CCCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is BBFHQJSVPLHZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-3-4-5-11-23-18-10-12-22(14(2)24)13-17(18)19(21-23)15-6-8-16(20)9-7-15/h6-9H,3-5,10-13H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 329.42 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-1-pentyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 56996472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).