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

C17H20FN3O — CID 57273598

IUPAC1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C17H20FN3O/c1-3-9-21-16-8-10-20(12(2)22)11-15(16)17(19-21)13-4-6-14(18)7-5-13/h4-7H,3,8-11H2,1-2H3
InChIKeyODCBWWAKLBWMCZ-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.00
Rot. Bonds3

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

1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 57273598) has the molecular formula C17H20FN3O and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID57273598
Molecular FormulaC17H20FN3O
Molecular Weight301.36 g/mol
Exact Mass301.16
IUPAC Name1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2
InChIInChI=1S/C17H20FN3O/c1-3-9-21-16-8-10-20(12(2)22)11-15(16)17(19-21)13-4-6-14(18)7-5-13/h4-7H,3,8-11H2,1-2H3
InChIKeyODCBWWAKLBWMCZ-UHFFFAOYSA-N
XLogP3.00
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 57273598) is 1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CCCn1nc(-c2ccc(F)cc2)c2c1CCN(C(C)=O)C2.
What is the InChIKey of 1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is ODCBWWAKLBWMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-3-9-21-16-8-10-20(12(2)22)11-15(16)17(19-21)13-4-6-14(18)7-5-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-[3-(4-fluorophenyl)-1-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 301.36 g/mol, XLogP of 3.00, 3 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-propyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 57273598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).