3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine

C13H13FN4 — CID 84741562

IUPAC3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cn(C)c3c(F)cccc23)cc1N
InChIInChI=1S/C13H13FN4/c1-17-7-9(11-6-12(15)18(2)16-11)8-4-3-5-10(14)13(8)17/h3-7H,15H2,1-2H3
InChIKeyAZSRUVCFVZATRZ-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.30
Rot. Bonds1

About 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine

3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine (PubChem CID 84741562) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine
PubChem CID84741562
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cn(C)c3c(F)cccc23)cc1N
InChIInChI=1S/C13H13FN4/c1-17-7-9(11-6-12(15)18(2)16-11)8-4-3-5-10(14)13(8)17/h3-7H,15H2,1-2H3
InChIKeyAZSRUVCFVZATRZ-UHFFFAOYSA-N
XLogP2.30
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine (CID 84741562) is 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2cn(C)c3c(F)cccc23)cc1N.
What is the InChIKey of 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine?
The InChIKey is AZSRUVCFVZATRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-17-7-9(11-6-12(15)18(2)16-11)8-4-3-5-10(14)13(8)17/h3-7H,15H2,1-2H3.
What are the key properties of 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine?
3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine has a molecular weight of 244.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 84741562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).