3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide

C15H13FN4 — CID 62141885

IUPAC3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cn2ncc3ccccc32)c(F)c1
InChIInChI=1S/C15H13FN4/c16-13-7-10(15(17)18)5-6-12(13)9-20-14-4-2-1-3-11(14)8-19-20/h1-8H,9H2,(H3,17,18)
InChIKeyQJFARQPXYWCZAE-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.51
Rot. Bonds3

About 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide

3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide (PubChem CID 62141885) has the molecular formula C15H13FN4 and a molecular weight of 268.30 g/mol. Its IUPAC name is 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound Name3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide
PubChem CID62141885
Molecular FormulaC15H13FN4
Molecular Weight268.30 g/mol
Exact Mass268.11
IUPAC Name3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Cn2ncc3ccccc32)c(F)c1
InChIInChI=1S/C15H13FN4/c16-13-7-10(15(17)18)5-6-12(13)9-20-14-4-2-1-3-11(14)8-19-20/h1-8H,9H2,(H3,17,18)
InChIKeyQJFARQPXYWCZAE-UHFFFAOYSA-N
XLogP2.51
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide (CID 62141885) is 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(Cn2ncc3ccccc32)c(F)c1.
What is the InChIKey of 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide?
The InChIKey is QJFARQPXYWCZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4/c16-13-7-10(15(17)18)5-6-12(13)9-20-14-4-2-1-3-11(14)8-19-20/h1-8H,9H2,(H3,17,18).
What are the key properties of 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide?
3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide has a molecular weight of 268.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(indazol-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 62141885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).