2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

C18H19ClN4O — CID 71918455

IUPAC2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cn[nH]c2-c2cccnc2)c(Cl)c1
InChIInChI=1S/C18H19ClN4O/c1-24-16-5-4-13(17(19)9-16)6-8-21-11-15-12-22-23-18(15)14-3-2-7-20-10-14/h2-5,7,9-10,12,21H,6,8,11H2,1H3,(H,22,23)
InChIKeyVQAKCSHCPKVKKS-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.47
Rot. Bonds7

About 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine

2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 71918455) has the molecular formula C18H19ClN4O and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID71918455
Molecular FormulaC18H19ClN4O
Molecular Weight342.83 g/mol
Exact Mass342.12
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCOc1ccc(CCNCc2cn[nH]c2-c2cccnc2)c(Cl)c1
InChIInChI=1S/C18H19ClN4O/c1-24-16-5-4-13(17(19)9-16)6-8-21-11-15-12-22-23-18(15)14-3-2-7-20-10-14/h2-5,7,9-10,12,21H,6,8,11H2,1H3,(H,22,23)
InChIKeyVQAKCSHCPKVKKS-UHFFFAOYSA-N
XLogP3.47
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-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

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
1-[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189779
2-(3-chlorophenyl)-3-(fluoromethoxy)-6-[(1-(111C)methylpyrazol-4-yl)methyl]pyridine
CID 168279860
1-[3-(2-chlorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]-N-[(1-ethyl-3-pyrrolidinyl)methyl]methanamine
CID 16190541
4-[5-(4-Chloro-phenyl)-3-(4-methoxy-phenyl)-1H-pyrrol-2-yl]-pyridine
CID 44372720
1-(2-chlorophenyl)-N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
CID 16190269
N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-1-(6-methylpyridin-2-yl)propan-2-amine
CID 16190562
4-chloro-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]aniline
CID 70688478
N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(3-methylpyridin-2-yl)ethanamine
CID 16192331
1-[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)methanamine
CID 16192162
N-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-N-(pyridin-4-ylmethyl)ethanamine
CID 16192492
2-methoxy-4-(5-piperidin-4-yl-1H-pyrazol-3-yl)pyridine
CID 176376030

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 71918455) is 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is COc1ccc(CCNCc2cn[nH]c2-c2cccnc2)c(Cl)c1.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is VQAKCSHCPKVKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O/c1-24-16-5-4-13(17(19)9-16)6-8-21-11-15-12-22-23-18(15)14-3-2-7-20-10-14/h2-5,7,9-10,12,21H,6,8,11H2,1H3,(H,22,23).
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine?
2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 342.83 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 71918455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).