1-[(2-fluorophenyl)methyl]-2H-indazol-3-one

C14H11FN2O — CID 10752656

IUPAC1-[(2-fluorophenyl)methyl]-2H-indazol-3-one
SMILESO=c1[nH]n(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C14H11FN2O/c15-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)16-17/h1-8H,9H2,(H,16,18)
InChIKeyVVCKBJXUIZQZRP-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.52
Rot. Bonds2

About 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one

1-[(2-fluorophenyl)methyl]-2H-indazol-3-one (PubChem CID 10752656) has the molecular formula C14H11FN2O and a molecular weight of 242.25 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-2H-indazol-3-one
PubChem CID10752656
Molecular FormulaC14H11FN2O
Molecular Weight242.25 g/mol
Exact Mass242.09
IUPAC Name1-[(2-fluorophenyl)methyl]-2H-indazol-3-one
SMILESO=c1[nH]n(Cc2ccccc2F)c2ccccc12
InChIInChI=1S/C14H11FN2O/c15-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)16-17/h1-8H,9H2,(H,16,18)
InChIKeyVVCKBJXUIZQZRP-UHFFFAOYSA-N
XLogP2.52
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one (CID 10752656) is 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one is O=c1[nH]n(Cc2ccccc2F)c2ccccc12.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one?
The InChIKey is VVCKBJXUIZQZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O/c15-12-7-3-1-5-10(12)9-17-13-8-4-2-6-11(13)14(18)16-17/h1-8H,9H2,(H,16,18).
What are the key properties of 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one?
1-[(2-fluorophenyl)methyl]-2H-indazol-3-one has a molecular weight of 242.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-2H-indazol-3-one is sourced from PubChem (CID 10752656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).