N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine

C12H14ClN3 — CID 114854091

IUPACN-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-n1cccn1
InChIInChI=1S/C12H14ClN3/c1-2-14-9-10-4-5-11(13)8-12(10)16-7-3-6-15-16/h3-8,14H,2,9H2,1H3
InChIKeyAVMGDJYUAZEMTE-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.64
Rot. Bonds4

About N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine

N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine (PubChem CID 114854091) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine
PubChem CID114854091
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC NameN-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine
SMILESCCNCc1ccc(Cl)cc1-n1cccn1
InChIInChI=1S/C12H14ClN3/c1-2-14-9-10-4-5-11(13)8-12(10)16-7-3-6-15-16/h3-8,14H,2,9H2,1H3
InChIKeyAVMGDJYUAZEMTE-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-2-pyrazol-1-ylphenyl)methanol
CID 114845909
N-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 43314015
N-(5-chloro-2-pyrazol-1-ylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852915
N-[[4-chloro-2-(4-ethylpiperazin-1-yl)phenyl]methyl]ethanamine
CID 114847648
N-[[4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 114850847
N-[[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]methyl]-2-methylpropan-1-amine
CID 114854309
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
N-[[4-chloro-2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methyl]ethanamine
CID 114847408
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
1-[4-chloro-2-(4-chloropyrazol-1-yl)phenyl]-N-methylmethanamine
CID 114854289

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine?
The IUPAC name of N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine (CID 114854091) is N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine is CCNCc1ccc(Cl)cc1-n1cccn1.
What is the InChIKey of N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine?
The InChIKey is AVMGDJYUAZEMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-2-14-9-10-4-5-11(13)8-12(10)16-7-3-6-15-16/h3-8,14H,2,9H2,1H3.
What are the key properties of N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine?
N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-pyrazol-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 114854091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).