N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine

C20H25N3O — CID 11659822

IUPACN,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine
SMILESCCN(CC)CCOc1cc(C)n(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H25N3O/c1-4-22(5-2)12-13-24-20-14-16(3)23(21-20)19-11-10-17-8-6-7-9-18(17)15-19/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyNMMACGGEHONAMP-UHFFFAOYSA-N
MW323.44 g/mol
LogP4.05
Rot. Bonds7

About N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine

N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine (PubChem CID 11659822) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine
PubChem CID11659822
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC NameN,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine
SMILESCCN(CC)CCOc1cc(C)n(-c2ccc3ccccc3c2)n1
InChIInChI=1S/C20H25N3O/c1-4-22(5-2)12-13-24-20-14-16(3)23(21-20)19-11-10-17-8-6-7-9-18(17)15-19/h6-11,14-15H,4-5,12-13H2,1-3H3
InChIKeyNMMACGGEHONAMP-UHFFFAOYSA-N
XLogP4.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine?
The IUPAC name of N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine (CID 11659822) is N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine.
What is the SMILES notation for N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine?
The canonical SMILES for N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine is CCN(CC)CCOc1cc(C)n(-c2ccc3ccccc3c2)n1.
What is the InChIKey of N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine?
The InChIKey is NMMACGGEHONAMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-4-22(5-2)12-13-24-20-14-16(3)23(21-20)19-11-10-17-8-6-7-9-18(17)15-19/h6-11,14-15H,4-5,12-13H2,1-3H3.
What are the key properties of N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine?
N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine has a molecular weight of 323.44 g/mol, XLogP of 4.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethanamine is sourced from PubChem (CID 11659822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).