(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

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

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Related Compounds

2-[(3S)-5-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindol-3-yl]acetonitrile
CID 121382703
(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 121372758
(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382739
1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398312
6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382684
(3R)-6-(1-methylpyrazol-4-yl)-3-phenyl-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382706
(3R)-1-ethyl-3-[2-[4-[(3S)-3-ethyl-1-propan-2-yl-2,3-dihydroindol-5-yl]-1-methylpyrazol-3-yl]ethyl]-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 130440417
1,3-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;heptane
CID 145105875
4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane
CID 145091251
4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
CID 118693272
1-[1-methyl-3-[(3S)-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372953
[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol
CID 145091312

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).