3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine

C17H24N4 — CID 43645009

IUPAC3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CNCCCN1CCc2ccccc21
InChIInChI=1S/C17H24N4/c1-13-16(14(2)20-19-13)12-18-9-5-10-21-11-8-15-6-3-4-7-17(15)21/h3-4,6-7,18H,5,8-12H2,1-2H3,(H,19,20)
InChIKeyMYHXLOQWQCCXOH-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.57
Rot. Bonds6

About 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine

3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine (PubChem CID 43645009) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
PubChem CID43645009
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
SMILESCc1n[nH]c(C)c1CNCCCN1CCc2ccccc21
InChIInChI=1S/C17H24N4/c1-13-16(14(2)20-19-13)12-18-9-5-10-21-11-8-15-6-3-4-7-17(15)21/h3-4,6-7,18H,5,8-12H2,1-2H3,(H,19,20)
InChIKeyMYHXLOQWQCCXOH-UHFFFAOYSA-N
XLogP2.57
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-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

3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 29033925
N-[(4-chlorophenyl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 29275975
3-(2,3-dihydroindol-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62569832
3-(2,3-dihydroindol-1-yl)-N-(furan-2-ylmethyl)propan-1-amine
CID 43208035
N-[3-(2,3-dihydroindol-1-yl)propyl]formamide
CID 64990492
N-[(5-bromothiophen-2-yl)methyl]-3-(2,3-dihydroindol-1-yl)propan-1-amine
CID 43100076
1-butyl-2,3-dihydroindole
CID 4167209
N'-[3-(2,3-dihydroindol-1-yl)propyl]-2-propan-2-ylpropane-1,3-diamine
CID 107441271
N-[3-(2,3-dihydroindol-1-yl)propyl]cyclopropanamine
CID 60867490
N-[3-(2,3-dihydroindol-1-yl)propyl]-1-ethylsulfonylpropan-2-amine
CID 115900693
2-[[3-(2,3-dihydroindol-1-yl)propylamino]methyl]-2-methylbutan-1-ol
CID 81412714
N-[3-(2,3-dihydroindol-1-yl)propyl]heptan-4-amine
CID 43111286

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine (CID 43645009) is 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine is Cc1n[nH]c(C)c1CNCCCN1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
The InChIKey is MYHXLOQWQCCXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-16(14(2)20-19-13)12-18-9-5-10-21-11-8-15-6-3-4-7-17(15)21/h3-4,6-7,18H,5,8-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine?
3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 43645009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).