[1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone

C17H22FN3O — CID 125181281

IUPAC[1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nn(CCCCCF)c2ccccc12)N1CCCC1
InChIInChI=1S/C17H22FN3O/c18-10-4-1-5-13-21-15-9-3-2-8-14(15)16(19-21)17(22)20-11-6-7-12-20/h2-3,8-9H,1,4-7,10-13H2
InChIKeyGSCLIRQNUBFUJA-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.41
Rot. Bonds6

About [1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone

[1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 125181281) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is [1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID125181281
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC Name[1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1nn(CCCCCF)c2ccccc12)N1CCCC1
InChIInChI=1S/C17H22FN3O/c18-10-4-1-5-13-21-15-9-3-2-8-14(15)16(19-21)17(22)20-11-6-7-12-20/h2-3,8-9H,1,4-7,10-13H2
InChIKeyGSCLIRQNUBFUJA-UHFFFAOYSA-N
XLogP3.41
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.41
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-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone (CID 125181281) is [1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1nn(CCCCCF)c2ccccc12)N1CCCC1.
What is the InChIKey of [1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is GSCLIRQNUBFUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c18-10-4-1-5-13-21-15-9-3-2-8-14(15)16(19-21)17(22)20-11-6-7-12-20/h2-3,8-9H,1,4-7,10-13H2.
What are the key properties of [1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone?
[1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 303.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-fluoropentyl)indazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 125181281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).