5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine

C16H22N4 — CID 83213449

IUPAC5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ccn(C(C)C)n1)CC2
InChIInChI=1S/C16H22N4/c1-11(2)20-7-5-14(18-20)10-19-6-4-13-8-12(3)15(17)9-16(13)19/h5,7-9,11H,4,6,10,17H2,1-3H3
InChIKeySMJDMIGXYXIGGO-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.92
Rot. Bonds3

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

5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine (PubChem CID 83213449) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
PubChem CID83213449
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine
SMILESCc1cc2c(cc1N)N(Cc1ccn(C(C)C)n1)CC2
InChIInChI=1S/C16H22N4/c1-11(2)20-7-5-14(18-20)10-19-6-4-13-8-12(3)15(17)9-16(13)19/h5,7-9,11H,4,6,10,17H2,1-3H3
InChIKeySMJDMIGXYXIGGO-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
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 5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine (CID 83213449) is 5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine is Cc1cc2c(cc1N)N(Cc1ccn(C(C)C)n1)CC2.
What is the InChIKey of 5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
The InChIKey is SMJDMIGXYXIGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)20-7-5-14(18-20)10-19-6-4-13-8-12(3)15(17)9-16(13)19/h5,7-9,11H,4,6,10,17H2,1-3H3.
What are the key properties of 5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine?
5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine has a molecular weight of 270.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(1-propan-2-ylpyrazol-3-yl)methyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 83213449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).