N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N3 — CID 134792249

IUPACN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(Cc1ccnn1C)C1CCCc2ccccc21
InChIInChI=1S/C16H21N3/c1-18(12-14-10-11-17-19(14)2)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3
InChIKeyLCUDMYQCZFGHFM-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.93
Rot. Bonds3

About N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 134792249) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID134792249
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCN(Cc1ccnn1C)C1CCCc2ccccc21
InChIInChI=1S/C16H21N3/c1-18(12-14-10-11-17-19(14)2)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3
InChIKeyLCUDMYQCZFGHFM-UHFFFAOYSA-N
XLogP2.93
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 134792249) is N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CN(Cc1ccnn1C)C1CCCc2ccccc21.
What is the InChIKey of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is LCUDMYQCZFGHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-18(12-14-10-11-17-19(14)2)16-9-5-7-13-6-3-4-8-15(13)16/h3-4,6,8,10-11,16H,5,7,9,12H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 134792249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).