N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine

C13H16ClN3 — CID 60699444

IUPACN-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C13H16ClN3/c1-2-15-7-11-8-16-17(9-11)10-12-5-3-4-6-13(12)14/h3-6,8-9,15H,2,7,10H2,1H3
InChIKeyQBARUYXNWWIIND-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.69
Rot. Bonds5

About N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine

N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine (PubChem CID 60699444) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
PubChem CID60699444
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C13H16ClN3/c1-2-15-7-11-8-16-17(9-11)10-12-5-3-4-6-13(12)14/h3-6,8-9,15H,2,7,10H2,1H3
InChIKeyQBARUYXNWWIIND-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]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-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931
2-[4-[[(2-chlorophenyl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64829934
4-(chloromethyl)-1-[(2-chlorophenyl)methyl]pyrazole
CID 62730927
N-[[1-[(2-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-1-amine
CID 62730305
N-[[1-[(2,3-dichlorophenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 107309883
3-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 63276635
1-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]butan-2-amine
CID 62731349
N-[[1-[(3-chloro-2-fluorophenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 102859471
2-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]propanedioic acid
CID 68655091
4-(3-bromopropyl)-1-[(2-chlorophenyl)methyl]pyrazole
CID 63276589
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 105375094
N-[[1-[(2-fluoro-3-nitrophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 107353549

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine (CID 60699444) is N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
The InChIKey is QBARUYXNWWIIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-15-7-11-8-16-17(9-11)10-12-5-3-4-6-13(12)14/h3-6,8-9,15H,2,7,10H2,1H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine?
N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 60699444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).