[1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C20H27FN2O — CID 102135350

IUPAC[1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2nn(CCCCCF)c3ccccc23)C1(C)C
InChIInChI=1S/C20H27FN2O/c1-19(2)18(20(19,3)4)17(24)16-14-10-6-7-11-15(14)23(22-16)13-9-5-8-12-21/h6-7,10-11,18H,5,8-9,12-13H2,1-4H3
InChIKeyLVJQJRUAYXVEGN-UHFFFAOYSA-N
MW330.45 g/mol
LogP5.04
Rot. Bonds7

About [1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 102135350) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is [1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID102135350
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name[1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1(C)C(C(=O)c2nn(CCCCCF)c3ccccc23)C1(C)C
InChIInChI=1S/C20H27FN2O/c1-19(2)18(20(19,3)4)17(24)16-14-10-6-7-11-15(14)23(22-16)13-9-5-8-12-21/h6-7,10-11,18H,5,8-9,12-13H2,1-4H3
InChIKeyLVJQJRUAYXVEGN-UHFFFAOYSA-N
XLogP5.04
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 55.04
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]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 102135350) is [1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1(C)C(C(=O)c2nn(CCCCCF)c3ccccc23)C1(C)C.
What is the InChIKey of [1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is LVJQJRUAYXVEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-19(2)18(20(19,3)4)17(24)16-14-10-6-7-11-15(14)23(22-16)13-9-5-8-12-21/h6-7,10-11,18H,5,8-9,12-13H2,1-4H3.
What are the key properties of [1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[1-(5-fluoropentyl)indazol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 330.45 g/mol, XLogP of 5.04, 7 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]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 102135350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).