3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine

C14H18N4O — CID 117399598

IUPAC3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine
SMILESCOc1c(-c2cc(N)n(C)n2)ccc2c1CCN2C
InChIInChI=1S/C14H18N4O/c1-17-7-6-10-12(17)5-4-9(14(10)19-3)11-8-13(15)18(2)16-11/h4-5,8H,6-7,15H2,1-3H3
InChIKeyUFRXSNJCHPCTHA-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.67
Rot. Bonds2

About 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine

3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine (PubChem CID 117399598) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine
PubChem CID117399598
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine
SMILESCOc1c(-c2cc(N)n(C)n2)ccc2c1CCN2C
InChIInChI=1S/C14H18N4O/c1-17-7-6-10-12(17)5-4-9(14(10)19-3)11-8-13(15)18(2)16-11/h4-5,8H,6-7,15H2,1-3H3
InChIKeyUFRXSNJCHPCTHA-UHFFFAOYSA-N
XLogP1.67
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine (CID 117399598) is 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine is COc1c(-c2cc(N)n(C)n2)ccc2c1CCN2C.
What is the InChIKey of 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine?
The InChIKey is UFRXSNJCHPCTHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-7-6-10-12(17)5-4-9(14(10)19-3)11-8-13(15)18(2)16-11/h4-5,8H,6-7,15H2,1-3H3.
What are the key properties of 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine?
3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine has a molecular weight of 258.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117399598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).