N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

C17H23N3 — CID 115989408

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCc1nn(C)cc1CNC1c2ccccc2CC1(C)C
InChIInChI=1S/C17H23N3/c1-12-14(11-20(4)19-12)10-18-16-15-8-6-5-7-13(15)9-17(16,2)3/h5-8,11,16,18H,9-10H2,1-4H3
InChIKeyRIUCYHWQEOAQTH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.14
Rot. Bonds3

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (PubChem CID 115989408) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
PubChem CID115989408
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
SMILESCc1nn(C)cc1CNC1c2ccccc2CC1(C)C
InChIInChI=1S/C17H23N3/c1-12-14(11-20(4)19-12)10-18-16-15-8-6-5-7-13(15)9-17(16,2)3/h5-8,11,16,18H,9-10H2,1-4H3
InChIKeyRIUCYHWQEOAQTH-UHFFFAOYSA-N
XLogP3.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-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

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine (CID 115989408) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is Cc1nn(C)cc1CNC1c2ccccc2CC1(C)C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
The InChIKey is RIUCYHWQEOAQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-14(11-20(4)19-12)10-18-16-15-8-6-5-7-13(15)9-17(16,2)3/h5-8,11,16,18H,9-10H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-1,3-dihydroinden-1-amine is sourced from PubChem (CID 115989408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).