N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine

C18H24N4 — CID 19624925

IUPACN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine
SMILESCCn1ncc(CNCCc2c[nH]c3ccc(C)cc23)c1C
InChIInChI=1S/C18H24N4/c1-4-22-14(3)16(12-21-22)10-19-8-7-15-11-20-18-6-5-13(2)9-17(15)18/h5-6,9,11-12,19-20H,4,7-8,10H2,1-3H3
InChIKeyAJWWEFWDOUKYEX-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.33
Rot. Bonds6

About N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine

N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine (PubChem CID 19624925) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine
PubChem CID19624925
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC NameN-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine
SMILESCCn1ncc(CNCCc2c[nH]c3ccc(C)cc23)c1C
InChIInChI=1S/C18H24N4/c1-4-22-14(3)16(12-21-22)10-19-8-7-15-11-20-18-6-5-13(2)9-17(15)18/h5-6,9,11-12,19-20H,4,7-8,10H2,1-3H3
InChIKeyAJWWEFWDOUKYEX-UHFFFAOYSA-N
XLogP3.33
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine 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

ethyl 5-[[2-(5-methyl-1H-indol-3-yl)ethylamino]methyl]-1,2-oxazole-3-carboxylate;hydrochloride
CID 90485840
2-chloro-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17339304
2-(3,4-dimethoxyphenyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]ethanamine
CID 19619312
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
CID 19624897
N-(2,6-dimethylphenyl)-2-[2-(5-methyl-1H-indol-3-yl)ethylamino]acetamide
CID 17066776
2-(5-chloro-1H-indol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 19624880
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 19618954
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899
2-(5-tert-butyl-1H-indol-3-yl)-N-ethylethanamine
CID 96674958
2-(5-methyl-1H-indol-3-yl)ethyl formate
CID 174764369
3-(3-methoxypropyl)-5-methyl-1H-indole
CID 66596207
2,2-dimethyl-N-[2-(6-methyl-1H-indol-3-yl)ethyl]propan-1-amine
CID 119110585

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine (CID 19624925) is N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine is CCn1ncc(CNCCc2c[nH]c3ccc(C)cc23)c1C.
What is the InChIKey of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine?
The InChIKey is AJWWEFWDOUKYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-4-22-14(3)16(12-21-22)10-19-8-7-15-11-20-18-6-5-13(2)9-17(15)18/h5-6,9,11-12,19-20H,4,7-8,10H2,1-3H3.
What are the key properties of N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine?
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine has a molecular weight of 296.42 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 19624925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).