3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine

C14H16N4O — CID 115107760

IUPAC3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine
SMILESCOc1ccc2cc(-c3cc(N)n(C)n3)n(C)c2c1
InChIInChI=1S/C14H16N4O/c1-17-12-7-10(19-3)5-4-9(12)6-13(17)11-8-14(15)18(2)16-11/h4-8H,15H2,1-3H3
InChIKeyPOHHUWLTJGMDKT-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.17
Rot. Bonds2

About 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine

3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine (PubChem CID 115107760) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine
PubChem CID115107760
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine
SMILESCOc1ccc2cc(-c3cc(N)n(C)n3)n(C)c2c1
InChIInChI=1S/C14H16N4O/c1-17-12-7-10(19-3)5-4-9(12)6-13(17)11-8-14(15)18(2)16-11/h4-8H,15H2,1-3H3
InChIKeyPOHHUWLTJGMDKT-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

3-(5-methoxy-1-methylindol-2-yl)-1-methylpyrazole-5-carboxylic acid
CID 115107842
6-methoxy-1-methylindol-2-ol
CID 141043556
3-[5-methoxy-2-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117370804
5-(6-methoxy-1-methylindol-2-yl)-1,2-oxazole-3-carboxylic acid
CID 115108015
3-(4-fluoro-1-methylindol-2-yl)-1-methylpyrazol-5-amine
CID 115107883
3-ethyl-7-methoxy-1-methylquinolin-2-one
CID 143543946
3-(4-methoxyphenyl)-1-propylpyrazol-5-amine
CID 61265330
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
5-bromo-3-(4-methoxyphenyl)-1-methylpyrazole
CID 84711805
propan-2-yl N-[4-(6-methoxy-1-methylindol-2-yl)phenyl]carbamate
CID 58490950
3-(3-chloro-6-methoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117382581
3-[3-methoxy-5-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117370803

Frequently Asked Questions

What is the IUPAC name of 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine (CID 115107760) is 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine is COc1ccc2cc(-c3cc(N)n(C)n3)n(C)c2c1.
What is the InChIKey of 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine?
The InChIKey is POHHUWLTJGMDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-17-12-7-10(19-3)5-4-9(12)6-13(17)11-8-14(15)18(2)16-11/h4-8H,15H2,1-3H3.
What are the key properties of 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine?
3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-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 3-(6-methoxy-1-methylindol-2-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 115107760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).