3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine

C14H15FN4 — CID 117399367

IUPAC3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine
SMILESCc1cc2cc(F)c(-c3cc(N)n(C)n3)cc2n1C
InChIInChI=1S/C14H15FN4/c1-8-4-9-5-11(15)10(6-13(9)18(8)2)12-7-14(16)19(3)17-12/h4-7H,16H2,1-3H3
InChIKeyGCRPUNOYKLHEKY-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.61
Rot. Bonds1

About 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine

3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine (PubChem CID 117399367) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine
PubChem CID117399367
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC Name3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine
SMILESCc1cc2cc(F)c(-c3cc(N)n(C)n3)cc2n1C
InChIInChI=1S/C14H15FN4/c1-8-4-9-5-11(15)10(6-13(9)18(8)2)12-7-14(16)19(3)17-12/h4-7H,16H2,1-3H3
InChIKeyGCRPUNOYKLHEKY-UHFFFAOYSA-N
XLogP2.61
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine (CID 117399367) is 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine is Cc1cc2cc(F)c(-c3cc(N)n(C)n3)cc2n1C.
What is the InChIKey of 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine?
The InChIKey is GCRPUNOYKLHEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c1-8-4-9-5-11(15)10(6-13(9)18(8)2)12-7-14(16)19(3)17-12/h4-7H,16H2,1-3H3.
What are the key properties of 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine?
3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine has a molecular weight of 258.30 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1,2-dimethylindol-6-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117399367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).