N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine

C21H20N4O — CID 86808484

IUPACN-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
SMILESCOc1ccc2ccccc2c1CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C21H20N4O/c1-26-20-9-8-15-5-2-3-7-18(15)19(20)14-23-12-17-13-24-25-21(17)16-6-4-10-22-11-16/h2-11,13,23H,12,14H2,1H3,(H,24,25)
InChIKeyHVTBRFWJMCLXTL-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.92
Rot. Bonds6

About N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine

N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine (PubChem CID 86808484) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
PubChem CID86808484
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC NameN-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine
SMILESCOc1ccc2ccccc2c1CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C21H20N4O/c1-26-20-9-8-15-5-2-3-7-18(15)19(20)14-23-12-17-13-24-25-21(17)16-6-4-10-22-11-16/h2-11,13,23H,12,14H2,1H3,(H,24,25)
InChIKeyHVTBRFWJMCLXTL-UHFFFAOYSA-N
XLogP3.92
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine (CID 86808484) is N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine is COc1ccc2ccccc2c1CNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine?
The InChIKey is HVTBRFWJMCLXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-26-20-9-8-15-5-2-3-7-18(15)19(20)14-23-12-17-13-24-25-21(17)16-6-4-10-22-11-16/h2-11,13,23H,12,14H2,1H3,(H,24,25).
What are the key properties of N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine?
N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine has a molecular weight of 344.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxynaphthalen-1-yl)methyl]-1-(5-pyridin-3-yl-1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 86808484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).