5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine

C12H11FN4 — CID 115107730

IUPAC5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine
SMILESCn1c(-c2cc(N)n[nH]2)cc2ccc(F)cc21
InChIInChI=1S/C12H11FN4/c1-17-10-5-8(13)3-2-7(10)4-11(17)9-6-12(14)16-15-9/h2-6H,1H3,(H3,14,15,16)
InChIKeyPIYPWFUNYNGQIM-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.29
Rot. Bonds1

About 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine

5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine (PubChem CID 115107730) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine
PubChem CID115107730
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine
SMILESCn1c(-c2cc(N)n[nH]2)cc2ccc(F)cc21
InChIInChI=1S/C12H11FN4/c1-17-10-5-8(13)3-2-7(10)4-11(17)9-6-12(14)16-15-9/h2-6H,1H3,(H3,14,15,16)
InChIKeyPIYPWFUNYNGQIM-UHFFFAOYSA-N
XLogP2.29
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,4-dimethylindol-2-yl)-1H-pyrazol-3-amine
CID 115107860
[5-(6-fluoro-1-methylindol-2-yl)-1,3-oxazol-2-yl]methanamine
CID 82385260
6-fluoro-1-methylindole-2-carboxamide
CID 4777701
5-(5-fluoro-1H-indol-2-yl)-1H-pyrazol-3-amine
CID 136985649
5-(5-fluoro-1-methylindol-2-yl)-1,2-oxazol-3-amine
CID 115108043
5-(6-fluoro-1-methylindol-2-yl)-1-methylpyrazole-4-carboxylic acid
CID 115109340
3-(5-fluoro-1-methylindol-2-yl)-1H-pyrazole-5-carboxylic acid
CID 115107817
2-(3-amino-1H-pyrazol-5-yl)-4-fluorobenzaldehyde
CID 117293129
5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 92669016
3-(1-aminoethyl)-7-fluoro-1-methylquinolin-2-one
CID 84623500
5-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1H-pyrazol-3-amine
CID 64528095
6-fluoro-1-methylindazol-3-amine
CID 15239650

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine (CID 115107730) is 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine is Cn1c(-c2cc(N)n[nH]2)cc2ccc(F)cc21.
What is the InChIKey of 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine?
The InChIKey is PIYPWFUNYNGQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-17-10-5-8(13)3-2-7(10)4-11(17)9-6-12(14)16-15-9/h2-6H,1H3,(H3,14,15,16).
What are the key properties of 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine?
5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine has a molecular weight of 230.25 g/mol, XLogP of 2.29, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluoro-1-methylindol-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 115107730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).