3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine

C17H24N4 — CID 80648893

IUPAC3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
SMILESCc1[nH]ncc1CCCNCc1cccc2c1NCCC2
InChIInChI=1S/C17H24N4/c1-13-15(12-20-21-13)8-3-9-18-11-16-6-2-5-14-7-4-10-19-17(14)16/h2,5-6,12,18-19H,3-4,7-11H2,1H3,(H,20,21)
InChIKeyZEBUYWNQCNILDI-UHFFFAOYSA-N
MW284.41 g/mol
LogP2.80
Rot. Bonds6

About 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine

3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine (PubChem CID 80648893) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
PubChem CID80648893
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
SMILESCc1[nH]ncc1CCCNCc1cccc2c1NCCC2
InChIInChI=1S/C17H24N4/c1-13-15(12-20-21-13)8-3-9-18-11-16-6-2-5-14-7-4-10-19-17(14)16/h2,5-6,12,18-19H,3-4,7-11H2,1H3,(H,20,21)
InChIKeyZEBUYWNQCNILDI-UHFFFAOYSA-N
XLogP2.80
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)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

N'-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)butane-1,4-diamine
CID 80649186
2-methyl-6-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]phenol
CID 112554057
N-[(2,3-difluorophenyl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 63668247
3-pyrrolidin-1-yl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80648840
2-(1-methylimidazol-2-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 80648410
4-(1,2,3,4-tetrahydroquinolin-8-ylmethylamino)butan-2-ol
CID 80650133
3-ethenoxy-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine
CID 80650089
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)-2-(1,3-thiazol-2-yl)ethanamine
CID 80649711
2-cyclobutyl-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 113478618
N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)but-3-yn-1-amine
CID 80649535
2-(cyclopenten-1-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)ethanamine
CID 106169188
2-[[3-(5-methyl-1H-pyrazol-4-yl)propylamino]methyl]benzonitrile
CID 103851222

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine (CID 80648893) is 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine is Cc1[nH]ncc1CCCNCc1cccc2c1NCCC2.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
The InChIKey is ZEBUYWNQCNILDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-13-15(12-20-21-13)8-3-9-18-11-16-6-2-5-14-7-4-10-19-17(14)16/h2,5-6,12,18-19H,3-4,7-11H2,1H3,(H,20,21).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine?
3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine has a molecular weight of 284.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)-N-(1,2,3,4-tetrahydroquinolin-8-ylmethyl)propan-1-amine is sourced from PubChem (CID 80648893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).