3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine

C13H13FN4 — CID 115107883

IUPAC3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc3c(F)cccc3n2C)cc1N
InChIInChI=1S/C13H13FN4/c1-17-11-5-3-4-9(14)8(11)6-12(17)10-7-13(15)18(2)16-10/h3-7H,15H2,1-2H3
InChIKeyNBIKLNUENRKSSS-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.30
Rot. Bonds1

About 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine

3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine (PubChem CID 115107883) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
PubChem CID115107883
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cc3c(F)cccc3n2C)cc1N
InChIInChI=1S/C13H13FN4/c1-17-11-5-3-4-9(14)8(11)6-12(17)10-7-13(15)18(2)16-10/h3-7H,15H2,1-2H3
InChIKeyNBIKLNUENRKSSS-UHFFFAOYSA-N
XLogP2.30
TPSA48.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluoro-1-methylindol-2-yl)-1H-pyrazol-4-amine
CID 115004731
5-(4-fluoro-1-methylindol-2-yl)-1,2-oxazol-4-amine
CID 82390701
5-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108105
3-(7-fluoro-1-methylindol-3-yl)-1-methylpyrazol-5-amine
CID 84741562
3-[2-(dimethylamino)-3-fluorophenyl]-1-methylpyrazol-5-amine
CID 115111981
3-(4-fluoro-2-methyl-1H-indol-3-yl)-1-methylpyrazol-5-amine
CID 136986107
3-(4-hydroxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 136985713
3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117346333
3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107760
ethyl 4-fluoro-1-methylindole-2-carboxylate
CID 171397337
1-methyl-3-naphthalen-1-ylpyrazol-5-amine
CID 43158903
3-(2-bromo-3,4-difluorophenyl)-1-methylpyrazol-5-amine
CID 117464618

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine (CID 115107883) is 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine is Cn1nc(-c2cc3c(F)cccc3n2C)cc1N.
What is the InChIKey of 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is NBIKLNUENRKSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-17-11-5-3-4-9(14)8(11)6-12(17)10-7-13(15)18(2)16-10/h3-7H,15H2,1-2H3.
What are the key properties of 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine?
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine has a molecular weight of 244.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 115107883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).