2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine

C12H14ClN3 — CID 117344011

IUPAC2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(-n2nccc2Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-14-8-6-10-2-4-11(5-3-10)16-12(13)7-9-15-16/h2-5,7,9,14H,6,8H2,1H3
InChIKeyORVFJNPYPDMARV-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.29
Rot. Bonds4

About 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine

2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine (PubChem CID 117344011) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine
PubChem CID117344011
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(-n2nccc2Cl)cc1
InChIInChI=1S/C12H14ClN3/c1-14-8-6-10-2-4-11(5-3-10)16-12(13)7-9-15-16/h2-5,7,9,14H,6,8H2,1H3
InChIKeyORVFJNPYPDMARV-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine 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

4-[4-(5-chloropyrazol-1-yl)phenyl]butan-1-amine
CID 117377989
1-[4-(5-chloropyrazol-1-yl)phenyl]-N-methoxymethanamine
CID 117348138
1-[4-(5-chloropyrazol-1-yl)phenyl]propan-2-amine
CID 117344026
N-methyl-2-(4-morpholin-4-ylphenyl)ethanamine
CID 82616430
1-[4-(5-chloropyrazol-1-yl)phenyl]ethanamine
CID 117317347
N-methyl-2-[4-[(3,4,5-trimethylpyrazol-1-yl)methyl]phenyl]ethanamine
CID 105348623
2-[4-(5-methylpyrazol-1-yl)phenyl]ethanol
CID 117290924
ethane;N-methyl-2-(4-propylphenyl)ethanamine
CID 143565028
ethane;N-methyl-2-[4-(methylaminomethyl)phenyl]ethanamine
CID 145117697
2-[4-[2-(fluoroamino)ethyl]phenyl]-N-methylethanamine
CID 155050815
2-[4-[(3,5-diethyl-1,2,4-triazol-1-yl)methyl]phenyl]-N-methylethanamine
CID 105348745
N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine (CID 117344011) is 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine is CNCCc1ccc(-n2nccc2Cl)cc1.
What is the InChIKey of 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine?
The InChIKey is ORVFJNPYPDMARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-14-8-6-10-2-4-11(5-3-10)16-12(13)7-9-15-16/h2-5,7,9,14H,6,8H2,1H3.
What are the key properties of 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine?
2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine has a molecular weight of 235.72 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloropyrazol-1-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 117344011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).