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

C13H16N4O — CID 117362780

IUPAC5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)ccc2c1CCN2C
InChIInChI=1S/C13H16N4O/c1-17-6-5-9-11(17)4-3-8(13(9)18-2)10-7-12(14)16-15-10/h3-4,7H,5-6H2,1-2H3,(H3,14,15,16)
InChIKeyOTHQOZGWSLNCPU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.66
Rot. Bonds2

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

5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine (PubChem CID 117362780) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine
PubChem CID117362780
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine
SMILESCOc1c(-c2cc(N)n[nH]2)ccc2c1CCN2C
InChIInChI=1S/C13H16N4O/c1-17-6-5-9-11(17)4-3-8(13(9)18-2)10-7-12(14)16-15-10/h3-4,7H,5-6H2,1-2H3,(H3,14,15,16)
InChIKeyOTHQOZGWSLNCPU-UHFFFAOYSA-N
XLogP1.66
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine (CID 117362780) is 5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine is COc1c(-c2cc(N)n[nH]2)ccc2c1CCN2C.
What is the InChIKey of 5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine?
The InChIKey is OTHQOZGWSLNCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17-6-5-9-11(17)4-3-8(13(9)18-2)10-7-12(14)16-15-10/h3-4,7H,5-6H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine?
5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine has a molecular weight of 244.30 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-1-methyl-2,3-dihydroindol-5-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117362780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).