N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine

C17H19N3 — CID 65200268

IUPACN-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine
SMILESCNC(Cc1cccc2ccccc12)c1ccn(C)n1
InChIInChI=1S/C17H19N3/c1-18-17(16-10-11-20(2)19-16)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-11,17-18H,12H2,1-2H3
InChIKeyXWOURIWJQWNCDG-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.08
Rot. Bonds4

About N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine

N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine (PubChem CID 65200268) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine
PubChem CID65200268
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine
SMILESCNC(Cc1cccc2ccccc12)c1ccn(C)n1
InChIInChI=1S/C17H19N3/c1-18-17(16-10-11-20(2)19-16)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-11,17-18H,12H2,1-2H3
InChIKeyXWOURIWJQWNCDG-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine?
The IUPAC name of N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine (CID 65200268) is N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine.
What is the SMILES notation for N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine?
The canonical SMILES for N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine is CNC(Cc1cccc2ccccc12)c1ccn(C)n1.
What is the InChIKey of N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine?
The InChIKey is XWOURIWJQWNCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-18-17(16-10-11-20(2)19-16)12-14-8-5-7-13-6-3-4-9-15(13)14/h3-11,17-18H,12H2,1-2H3.
What are the key properties of N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine?
N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylpyrazol-3-yl)-2-naphthalen-1-ylethanamine is sourced from PubChem (CID 65200268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).