5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine

C14H16N4O — CID 115108341

IUPAC5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine
SMILESCOc1cccc2c1c(-c1cc(N)nn1C)cn2C
InChIInChI=1S/C14H16N4O/c1-17-8-9(11-7-13(15)16-18(11)2)14-10(17)5-4-6-12(14)19-3/h4-8H,1-3H3,(H2,15,16)
InChIKeyVKLDRGYAELESKY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.17
Rot. Bonds2

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

5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine (PubChem CID 115108341) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine
PubChem CID115108341
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine
SMILESCOc1cccc2c1c(-c1cc(N)nn1C)cn2C
InChIInChI=1S/C14H16N4O/c1-17-8-9(11-7-13(15)16-18(11)2)14-10(17)5-4-6-12(14)19-3/h4-8H,1-3H3,(H2,15,16)
InChIKeyVKLDRGYAELESKY-UHFFFAOYSA-N
XLogP2.17
TPSA58.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-hydroxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108344
5-(1-methyl-4-naphthalen-2-yloxyindol-3-yl)-1,2-oxazol-3-amine
CID 67213782
5-(4-fluoro-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108326
3-(4-methoxy-1-methylindol-3-yl)propan-1-amine
CID 82278662
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
2-(4-methoxy-1-methylindol-3-yl)acetic acid
CID 82278588
3-(4-methoxy-1-methylindol-3-yl)-4-(5-methoxy-1-methylindol-3-yl)pyrrole-2,5-dione
CID 15513688
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
2-(4-methoxy-1-methylindol-3-yl)ethyl-trimethylazanium
CID 156698146
7-methoxy-2-methylindazol-3-amine
CID 177108697
(4-iodophenyl)-(4-methoxy-1-methylindol-3-yl)methanone
CID 107360312
3-(3-amino-1-methylpyrazol-5-yl)-1H-indol-7-ol
CID 136985848

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine?
The IUPAC name of 5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine (CID 115108341) is 5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine.
What is the SMILES notation for 5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine?
The canonical SMILES for 5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine is COc1cccc2c1c(-c1cc(N)nn1C)cn2C.
What is the InChIKey of 5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine?
The InChIKey is VKLDRGYAELESKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17-8-9(11-7-13(15)16-18(11)2)14-10(17)5-4-6-12(14)19-3/h4-8H,1-3H3,(H2,15,16).
What are the key properties of 5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine?
5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine has a molecular weight of 256.31 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-1-methylindol-3-yl)-1-methylpyrazol-3-amine is sourced from PubChem (CID 115108341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).