1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one

C18H17FN2O — CID 91507457

IUPAC1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O/c1-12(2)18(22)14-5-8-17-15(9-14)10-20-21(17)11-13-3-6-16(19)7-4-13/h3-10,12H,11H2,1-2H3
InChIKeyYRXMWEKHMNQKCT-UHFFFAOYSA-N
MW296.35 g/mol
LogP4.06
Rot. Bonds4

About 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one

1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one (PubChem CID 91507457) has the molecular formula C18H17FN2O and a molecular weight of 296.35 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one
PubChem CID91507457
Molecular FormulaC18H17FN2O
Molecular Weight296.35 g/mol
Exact Mass296.13
IUPAC Name1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C18H17FN2O/c1-12(2)18(22)14-5-8-17-15(9-14)10-20-21(17)11-13-3-6-16(19)7-4-13/h3-10,12H,11H2,1-2H3
InChIKeyYRXMWEKHMNQKCT-UHFFFAOYSA-N
XLogP4.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 54.06
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]-2-methylpropan-1-one?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one (CID 91507457) is 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one is CC(C)C(=O)c1ccc2c(cnn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one?
The InChIKey is YRXMWEKHMNQKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O/c1-12(2)18(22)14-5-8-17-15(9-14)10-20-21(17)11-13-3-6-16(19)7-4-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one?
1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-methylpropan-1-one has a molecular weight of 296.35 g/mol, XLogP of 4.06, 4 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]-2-methylpropan-1-one is sourced from PubChem (CID 91507457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).