5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

C14H16FN5 — CID 103496179

IUPAC5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCc2ccc(F)cc21
InChIInChI=1S/C14H16FN5/c1-8-12(13(16)17)14(19(2)18-8)20-6-5-9-3-4-10(15)7-11(9)20/h3-4,7H,5-6H2,1-2H3,(H3,16,17)
InChIKeyMXBHLNGGWUTYKQ-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.85
Rot. Bonds2

About 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 103496179) has the molecular formula C14H16FN5 and a molecular weight of 273.31 g/mol. Its IUPAC name is 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID103496179
Molecular FormulaC14H16FN5
Molecular Weight273.31 g/mol
Exact Mass273.14
IUPAC Name5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCc2ccc(F)cc21
InChIInChI=1S/C14H16FN5/c1-8-12(13(16)17)14(19(2)18-8)20-6-5-9-3-4-10(15)7-11(9)20/h3-4,7H,5-6H2,1-2H3,(H3,16,17)
InChIKeyMXBHLNGGWUTYKQ-UHFFFAOYSA-N
XLogP1.85
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (CID 103496179) is 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N1CCc2ccc(F)cc21.
What is the InChIKey of 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is MXBHLNGGWUTYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN5/c1-8-12(13(16)17)14(19(2)18-8)20-6-5-9-3-4-10(15)7-11(9)20/h3-4,7H,5-6H2,1-2H3,(H3,16,17).
What are the key properties of 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 273.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-2,3-dihydroindol-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 103496179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).