(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole

C15H19N3 — CID 121372758

IUPAC(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESCC[C@@H]1CN(C)c2ccc(-c3cnn(C)c3)cc21
InChIInChI=1S/C15H19N3/c1-4-11-9-17(2)15-6-5-12(7-14(11)15)13-8-16-18(3)10-13/h5-8,10-11H,4,9H2,1-3H3/t11-/m1/s1
InChIKeyHVMXOXPMGUMDPR-LLVKDONJSA-N
MW241.34 g/mol
LogP3.03
Rot. Bonds2

About (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole

(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole (PubChem CID 121372758) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
PubChem CID121372758
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
SMILESCC[C@@H]1CN(C)c2ccc(-c3cnn(C)c3)cc21
InChIInChI=1S/C15H19N3/c1-4-11-9-17(2)15-6-5-12(7-14(11)15)13-8-16-18(3)10-13/h5-8,10-11H,4,9H2,1-3H3/t11-/m1/s1
InChIKeyHVMXOXPMGUMDPR-LLVKDONJSA-N
XLogP3.03
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;pentane
CID 145091251
(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
2-[(3S)-5-(1-methylpyrazol-4-yl)-1-propan-2-yl-2,3-dihydroindol-3-yl]acetonitrile
CID 121382703
(3R)-1-butan-2-yl-3-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 139398709
1,3-dimethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline;heptane
CID 145105875
3-methoxy-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 121385700
(3R)-3-ethyl-6-(1-methylpyrazol-4-yl)-1-propan-2-yl-3,4-dihydro-2H-quinoline
CID 121382739
(3R)-3-ethynyl-1-methyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398485
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
[1-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methanol
CID 145091312
1-[3-[(4S)-4-ethyl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 145092196
2-ethyl-4-(1-methylpyrazol-4-yl)aniline
CID 81288941

Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The IUPAC name of (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole (CID 121372758) is (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole.
What is the SMILES notation for (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The canonical SMILES for (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole is CC[C@@H]1CN(C)c2ccc(-c3cnn(C)c3)cc21.
What is the InChIKey of (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
The InChIKey is HVMXOXPMGUMDPR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3/c1-4-11-9-17(2)15-6-5-12(7-14(11)15)13-8-16-18(3)10-13/h5-8,10-11H,4,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole?
(3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole has a molecular weight of 241.34 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethyl-1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole is sourced from PubChem (CID 121372758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).