2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine

C13H13FN4 — CID 82385817

IUPAC2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine
SMILESCc1nn(C)cc1-c1cc2cc(F)c(N)cc2[nH]1
InChIInChI=1S/C13H13FN4/c1-7-9(6-18(2)17-7)13-4-8-3-10(14)11(15)5-12(8)16-13/h3-6,16H,15H2,1-2H3
InChIKeyRFFATXWUIBPVIU-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.60
Rot. Bonds1

About 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine

2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine (PubChem CID 82385817) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine.

Molecular Properties

Compound Name2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine
PubChem CID82385817
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine
SMILESCc1nn(C)cc1-c1cc2cc(F)c(N)cc2[nH]1
InChIInChI=1S/C13H13FN4/c1-7-9(6-18(2)17-7)13-4-8-3-10(14)11(15)5-12(8)16-13/h3-6,16H,15H2,1-2H3
InChIKeyRFFATXWUIBPVIU-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

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dimethylpyrazol-4-yl)-5,6-difluoro-1H-benzimidazole
CID 113338114
5-fluoro-2-methylindazol-6-amine
CID 117110292
3-(1,3-dimethylpyrazol-4-yl)-4-fluoroaniline
CID 104781282
6-fluoro-2-methylindazol-5-amine
CID 118626680
5-(1,3-dimethylpyrazol-4-yl)-2,3-dimethylimidazol-4-amine
CID 83092115
5-fluoro-2-thiophen-2-yl-1H-indol-6-amine
CID 82390356
3-(1,3-dimethylpyrazol-4-yl)pyrazin-2-amine
CID 112559104
5-[1-(1,3-dimethylpyrazol-4-yl)tetrazol-5-yl]-2,4-difluoroaniline
CID 102807099
2-[5-(1,3-dimethylpyrazol-4-yl)-1H-imidazol-2-yl]propan-2-amine
CID 65459125
5-(1,3-dimethylpyrazol-4-yl)-4-(4-fluorophenyl)-1H-pyrazol-3-amine
CID 102801648
3-(1,3-dimethylpyrazol-4-yl)-5-methylaniline
CID 107579808
3-(1,3-dimethylpyrazol-4-yl)-2-methylaniline
CID 107627174

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine?
The IUPAC name of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine (CID 82385817) is 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine.
What is the SMILES notation for 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine?
The canonical SMILES for 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine is Cc1nn(C)cc1-c1cc2cc(F)c(N)cc2[nH]1.
What is the InChIKey of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine?
The InChIKey is RFFATXWUIBPVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-7-9(6-18(2)17-7)13-4-8-3-10(14)11(15)5-12(8)16-13/h3-6,16H,15H2,1-2H3.
What are the key properties of 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine?
2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-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 2-(1,3-dimethylpyrazol-4-yl)-5-fluoro-1H-indol-6-amine is sourced from PubChem (CID 82385817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).