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

C15H16ClFN4 — CID 19624897

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
SMILESCn1ncc(Cl)c1CNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H16ClFN4/c1-21-15(13(16)8-20-21)9-18-5-4-10-7-19-14-3-2-11(17)6-12(10)14/h2-3,6-8,18-19H,4-5,9H2,1H3
InChIKeyNYUBPVQHYCFGFJ-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.03
Rot. Bonds5

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

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine (PubChem CID 19624897) has the molecular formula C15H16ClFN4 and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
PubChem CID19624897
Molecular FormulaC15H16ClFN4
Molecular Weight306.77 g/mol
Exact Mass306.10
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
SMILESCn1ncc(Cl)c1CNCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C15H16ClFN4/c1-21-15(13(16)8-20-21)9-18-5-4-10-7-19-14-3-2-11(17)6-12(10)14/h2-3,6-8,18-19H,4-5,9H2,1H3
InChIKeyNYUBPVQHYCFGFJ-UHFFFAOYSA-N
XLogP3.03
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-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

N-[2-(5-fluoro-1H-indol-3-yl)ethyl]prop-2-en-1-amine
CID 166157928
2-(5-chloro-1H-indol-3-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]ethanamine
CID 19624880
[2-(5-fluoro-1H-indol-3-yl)ethylamino]methyl acetate
CID 151199307
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-(5-methyl-1H-indol-3-yl)ethanamine
CID 19624925
N-[3-(5-fluoro-1H-indol-3-yl)propyl]pentan-1-amine
CID 141110811
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
1-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrazole-4-sulfonamide
CID 56793257
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[(4-methyl-1,2,4-triazol-3-yl)methyl]guanidine;hydroiodide
CID 111972171
N-[[1-[(2-chloro-4-fluorophenyl)methyl]indol-3-yl]methyl]-2-(1H-indol-3-yl)ethanamine
CID 124783349
N-[2-(2,4-dichlorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide
CID 113209285
tert-butyl N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]ethyl]carbamate
CID 67394852

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine (CID 19624897) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine is Cn1ncc(Cl)c1CNCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine?
The InChIKey is NYUBPVQHYCFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN4/c1-21-15(13(16)8-20-21)9-18-5-4-10-7-19-14-3-2-11(17)6-12(10)14/h2-3,6-8,18-19H,4-5,9H2,1H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine has a molecular weight of 306.77 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine is sourced from PubChem (CID 19624897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).