1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine

C16H22N4 — CID 83212458

IUPAC1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCCc1cc(CN2CCc3cc(C)c(N)cc32)n(C)n1
InChIInChI=1S/C16H22N4/c1-4-13-8-14(19(3)18-13)10-20-6-5-12-7-11(2)15(17)9-16(12)20/h7-9H,4-6,10,17H2,1-3H3
InChIKeySBMTZZYKSXYWTF-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.44
Rot. Bonds3

About 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine

1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine (PubChem CID 83212458) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
PubChem CID83212458
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine
SMILESCCc1cc(CN2CCc3cc(C)c(N)cc32)n(C)n1
InChIInChI=1S/C16H22N4/c1-4-13-8-14(19(3)18-13)10-20-6-5-12-7-11(2)15(17)9-16(12)20/h7-9H,4-6,10,17H2,1-3H3
InChIKeySBMTZZYKSXYWTF-UHFFFAOYSA-N
XLogP2.44
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The IUPAC name of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine (CID 83212458) is 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine is CCc1cc(CN2CCc3cc(C)c(N)cc32)n(C)n1.
What is the InChIKey of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
The InChIKey is SBMTZZYKSXYWTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-13-8-14(19(3)18-13)10-20-6-5-12-7-11(2)15(17)9-16(12)20/h7-9H,4-6,10,17H2,1-3H3.
What are the key properties of 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine?
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine has a molecular weight of 270.38 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5-methyl-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83212458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).