4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine

C12H11FN4 — CID 117332308

IUPAC4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc3[nH]ccc3cc2F)c1N
InChIInChI=1S/C12H11FN4/c1-17-12(14)9(6-16-17)8-5-11-7(2-3-15-11)4-10(8)13/h2-6,15H,14H2,1H3
InChIKeyPJXHHFOKLCDALR-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.29
Rot. Bonds1

About 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine

4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine (PubChem CID 117332308) has the molecular formula C12H11FN4 and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine
PubChem CID117332308
Molecular FormulaC12H11FN4
Molecular Weight230.25 g/mol
Exact Mass230.10
IUPAC Name4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine
SMILESCn1ncc(-c2cc3[nH]ccc3cc2F)c1N
InChIInChI=1S/C12H11FN4/c1-17-12(14)9(6-16-17)8-5-11-7(2-3-15-11)4-10(8)13/h2-6,15H,14H2,1H3
InChIKeyPJXHHFOKLCDALR-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

4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117380822
1-methyl-4-[2-(trifluoromethyl)-1H-indol-4-yl]pyrazol-5-amine
CID 117449657
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117319251
2-(5-amino-1-methylpyrazol-4-yl)-5-fluorophenol
CID 117295558
4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117342045
4-(3,4-difluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350188
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-(2-chloro-4-fluorophenyl)-1-methylpyrazol-5-amine
CID 63038462
4-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464605

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine (CID 117332308) is 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine is Cn1ncc(-c2cc3[nH]ccc3cc2F)c1N.
What is the InChIKey of 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine?
The InChIKey is PJXHHFOKLCDALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4/c1-17-12(14)9(6-16-17)8-5-11-7(2-3-15-11)4-10(8)13/h2-6,15H,14H2,1H3.
What are the key properties of 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine?
4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-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 4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117332308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).