1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone

C16H13FN2O — CID 59625983

IUPAC1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O/c1-11(20)13-4-7-16-14(8-13)9-18-19(16)10-12-2-5-15(17)6-3-12/h2-9H,10H2,1H3
InChIKeyVTLBWUSCBJVLOM-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.43
Rot. Bonds3

About 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone

1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone (PubChem CID 59625983) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone
PubChem CID59625983
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C16H13FN2O/c1-11(20)13-4-7-16-14(8-13)9-18-19(16)10-12-2-5-15(17)6-3-12/h2-9H,10H2,1H3
InChIKeyVTLBWUSCBJVLOM-UHFFFAOYSA-N
XLogP3.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone (CID 59625983) is 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone is CC(=O)c1ccc2c(cnn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone?
The InChIKey is VTLBWUSCBJVLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11(20)13-4-7-16-14(8-13)9-18-19(16)10-12-2-5-15(17)6-3-12/h2-9H,10H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone?
1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone has a molecular weight of 268.29 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]ethanone is sourced from PubChem (CID 59625983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).