N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

C16H21N3 — CID 25154366

IUPACN-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2ccc(-c3c(C)nn(C)c3C)cc21
InChIInChI=1S/C16H21N3/c1-10-16(11(2)19(4)18-10)13-6-5-12-7-8-15(17-3)14(12)9-13/h5-6,9,15,17H,7-8H2,1-4H3
InChIKeyCMJAEJACNGQGQB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.91
Rot. Bonds2

About N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine

N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (PubChem CID 25154366) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
PubChem CID25154366
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
SMILESCNC1CCc2ccc(-c3c(C)nn(C)c3C)cc21
InChIInChI=1S/C16H21N3/c1-10-16(11(2)19(4)18-10)13-6-5-12-7-8-15(17-3)14(12)9-13/h5-6,9,15,17H,7-8H2,1-4H3
InChIKeyCMJAEJACNGQGQB-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154534
(1S)-N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154365
N,N-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154364
N,N-diethyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine
CID 25154368
1-N,3-N,5-N-trimethyl-4-[(3S)-3-(methylamino)-2,3-dihydro-1H-inden-5-yl]pyrazole-1,3,5-triamine
CID 174610419
6-[2,6-bis(trifluoromethyl)phenyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 25154451
6-chloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 54776023
N-[5-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
CID 11681775
N-[[2-fluoro-5-(1,3,5-trimethylpyrazol-4-yl)phenyl]methyl]cyclopropanamine
CID 61033411
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
4-(4-chlorophenyl)-1,3,5-trimethylpyrazole
CID 142305322
1,3,5-trimethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)pyrazol-4-amine
CID 43204439

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine (CID 25154366) is N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is CNC1CCc2ccc(-c3c(C)nn(C)c3C)cc21.
What is the InChIKey of N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CMJAEJACNGQGQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-10-16(11(2)19(4)18-10)13-6-5-12-7-8-15(17-3)14(12)9-13/h5-6,9,15,17H,7-8H2,1-4H3.
What are the key properties of N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine?
N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 255.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(1,3,5-trimethylpyrazol-4-yl)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 25154366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).