3-pentan-3-yl-2,3-dihydro-1H-indazole

C12H18N2 — CID 143792395

IUPAC3-pentan-3-yl-2,3-dihydro-1H-indazole
SMILESCCC(CC)C1NNc2ccccc21
InChIInChI=1S/C12H18N2/c1-3-9(4-2)12-10-7-5-6-8-11(10)13-14-12/h5-9,12-14H,3-4H2,1-2H3
InChIKeyLBKVUVQVQLTIQJ-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.09
Rot. Bonds3

About 3-pentan-3-yl-2,3-dihydro-1H-indazole

3-pentan-3-yl-2,3-dihydro-1H-indazole (PubChem CID 143792395) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-pentan-3-yl-2,3-dihydro-1H-indazole.

Molecular Properties

Compound Name3-pentan-3-yl-2,3-dihydro-1H-indazole
PubChem CID143792395
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name3-pentan-3-yl-2,3-dihydro-1H-indazole
SMILESCCC(CC)C1NNc2ccccc21
InChIInChI=1S/C12H18N2/c1-3-9(4-2)12-10-7-5-6-8-11(10)13-14-12/h5-9,12-14H,3-4H2,1-2H3
InChIKeyLBKVUVQVQLTIQJ-UHFFFAOYSA-N
XLogP3.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dihydro-1H-indazole-3-carbonitrile
CID 69219149
(2S)-1-methyl-2-pentan-3-yl-2,3-dihydro-1H-indene
CID 163961847
3-piperidin-4-yl-2,3-dihydro-1H-indazole
CID 143791959
1-(6,11-dihydro-5H-benzo[c][1]benzazepin-6-yl)-N-methylpropan-1-amine
CID 70499116
4-butan-2-yl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 106780808
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
(2R,3S)-3-ethyl-2-methyl-2,3-dihydro-1H-indole
CID 95970001
1-(2,3-dihydro-1H-isoindol-1-yl)propan-1-ol
CID 65042192
(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-pentan-3-ylpiperazine-2,5-dione
CID 141149677
diethyl 2-(2-oxo-1,3-dihydroindol-3-yl)propanedioate
CID 11460508
8-tetradecyl-7-azabicyclo[4.2.0]octa-1,3,5-triene
CID 21292499
4-ethyl-1,4-dihydroquinazoline
CID 76852295

Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-2,3-dihydro-1H-indazole?
The IUPAC name of 3-pentan-3-yl-2,3-dihydro-1H-indazole (CID 143792395) is 3-pentan-3-yl-2,3-dihydro-1H-indazole.
What is the SMILES notation for 3-pentan-3-yl-2,3-dihydro-1H-indazole?
The canonical SMILES for 3-pentan-3-yl-2,3-dihydro-1H-indazole is CCC(CC)C1NNc2ccccc21.
What is the InChIKey of 3-pentan-3-yl-2,3-dihydro-1H-indazole?
The InChIKey is LBKVUVQVQLTIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-9(4-2)12-10-7-5-6-8-11(10)13-14-12/h5-9,12-14H,3-4H2,1-2H3.
What are the key properties of 3-pentan-3-yl-2,3-dihydro-1H-indazole?
3-pentan-3-yl-2,3-dihydro-1H-indazole has a molecular weight of 190.29 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-3-yl-2,3-dihydro-1H-indazole is sourced from PubChem (CID 143792395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).