(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole

C17H23N3 — CID 139398709

IUPAC(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESCCC(C)N1C[C@H](C)c2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C17H23N3/c1-5-13(3)20-10-12(2)16-8-14(6-7-17(16)20)15-9-18-19(4)11-15/h6-9,11-13H,5,10H2,1-4H3/t12-,13?/m0/s1
InChIKeyATLVSJVDVVVDDL-UEWDXFNNSA-N
MW269.39 g/mol
LogP3.81
Rot. Bonds3

About (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole

(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole (PubChem CID 139398709) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
PubChem CID139398709
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESCCC(C)N1C[C@H](C)c2cc(-c3cnn(C)c3)ccc21
InChIInChI=1S/C17H23N3/c1-5-13(3)20-10-12(2)16-8-14(6-7-17(16)20)15-9-18-19(4)11-15/h6-9,11-13H,5,10H2,1-4H3/t12-,13?/m0/s1
InChIKeyATLVSJVDVVVDDL-UEWDXFNNSA-N
XLogP3.81
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The IUPAC name of (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole (CID 139398709) is (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole.
What is the SMILES notation for (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The canonical SMILES for (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole is CCC(C)N1C[C@H](C)c2cc(-c3cnn(C)c3)ccc21.
What is the InChIKey of (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The InChIKey is ATLVSJVDVVVDDL-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-13(3)20-10-12(2)16-8-14(6-7-17(16)20)15-9-18-19(4)11-15/h6-9,11-13H,5,10H2,1-4H3/t12-,13?/m0/s1.
What are the key properties of (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole has a molecular weight of 269.39 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 139398709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).