3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine

C13H13FN4 — CID 136986107

IUPAC3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine
SMILESCc1[nH]c2cccc(F)c2c1-c1cc(N)n(C)n1
InChIInChI=1S/C13H13FN4/c1-7-12(10-6-11(15)18(2)17-10)13-8(14)4-3-5-9(13)16-7/h3-6,16H,15H2,1-2H3
InChIKeyYUJDFEDCBCVEHR-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.60
Rot. Bonds1

About 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine

3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine (PubChem CID 136986107) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine
PubChem CID136986107
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine
SMILESCc1[nH]c2cccc(F)c2c1-c1cc(N)n(C)n1
InChIInChI=1S/C13H13FN4/c1-7-12(10-6-11(15)18(2)17-10)13-8(14)4-3-5-9(13)16-7/h3-6,16H,15H2,1-2H3
InChIKeyYUJDFEDCBCVEHR-UHFFFAOYSA-N
XLogP2.60
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine (CID 136986107) is 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine is Cc1[nH]c2cccc(F)c2c1-c1cc(N)n(C)n1.
What is the InChIKey of 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine?
The InChIKey is YUJDFEDCBCVEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-7-12(10-6-11(15)18(2)17-10)13-8(14)4-3-5-9(13)16-7/h3-6,16H,15H2,1-2H3.
What are the key properties of 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine?
3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine has a molecular weight of 244.27 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 136986107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).