N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine

C28H25N3O — CID 1290486

IUPACN-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
SMILESCOc1ccc2cc(-c3nn(-c4ccccc4)cc3CNCc3ccccc3)ccc2c1
InChIInChI=1S/C28H25N3O/c1-32-27-15-14-22-16-24(13-12-23(22)17-27)28-25(19-29-18-21-8-4-2-5-9-21)20-31(30-28)26-10-6-3-7-11-26/h2-17,20,29H,18-19H2,1H3
InChIKeyUFXQOHMLHSYFGA-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.99
Rot. Bonds7

About N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine

N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine (PubChem CID 1290486) has the molecular formula C28H25N3O and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
PubChem CID1290486
Molecular FormulaC28H25N3O
Molecular Weight419.53 g/mol
Exact Mass419.20
IUPAC NameN-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
SMILESCOc1ccc2cc(-c3nn(-c4ccccc4)cc3CNCc3ccccc3)ccc2c1
InChIInChI=1S/C28H25N3O/c1-32-27-15-14-22-16-24(13-12-23(22)17-27)28-25(19-29-18-21-8-4-2-5-9-21)20-31(30-28)26-10-6-3-7-11-26/h2-17,20,29H,18-19H2,1H3
InChIKeyUFXQOHMLHSYFGA-UHFFFAOYSA-N
XLogP5.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine 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-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 51110159
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
methyl 4-[[[3-(3-fluorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]methylamino]methyl]benzoate
CID 42512571
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
3-(7-methoxynaphthalen-2-yl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 48575279
2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
CID 20542687
N-benzyl-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 1340100
1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
CID 18227355
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
1-(2-ethyl-4-methoxyphenyl)-N-[[1-(4-iodo-3-methylphenyl)-3-phenylpyrazol-4-yl]methyl]methanamine
CID 70312359

Frequently Asked Questions

What is the IUPAC name of N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine (CID 1290486) is N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine is COc1ccc2cc(-c3nn(-c4ccccc4)cc3CNCc3ccccc3)ccc2c1.
What is the InChIKey of N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine?
The InChIKey is UFXQOHMLHSYFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O/c1-32-27-15-14-22-16-24(13-12-23(22)17-27)28-25(19-29-18-21-8-4-2-5-9-21)20-31(30-28)26-10-6-3-7-11-26/h2-17,20,29H,18-19H2,1H3.
What are the key properties of N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine?
N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine has a molecular weight of 419.53 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 1290486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).