N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

C16H21N3O — CID 82865959

IUPACN-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3ccn(C)n3)cccc21
InChIInChI=1S/C16H21N3O/c1-17-15-7-3-6-14-13(15)5-4-8-16(14)20-11-12-9-10-19(2)18-12/h4-5,8-10,15,17H,3,6-7,11H2,1-2H3
InChIKeyWKCCLUDULXNWBS-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.60
Rot. Bonds4

About N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine

N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 82865959) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID82865959
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1CCCc2c(OCc3ccn(C)n3)cccc21
InChIInChI=1S/C16H21N3O/c1-17-15-7-3-6-14-13(15)5-4-8-16(14)20-11-12-9-10-19(2)18-12/h4-5,8-10,15,17H,3,6-7,11H2,1-2H3
InChIKeyWKCCLUDULXNWBS-UHFFFAOYSA-N
XLogP2.60
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 82865959) is N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1CCCc2c(OCc3ccn(C)n3)cccc21.
What is the InChIKey of N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WKCCLUDULXNWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-17-15-7-3-6-14-13(15)5-4-8-16(14)20-11-12-9-10-19(2)18-12/h4-5,8-10,15,17H,3,6-7,11H2,1-2H3.
What are the key properties of N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(1-methylpyrazol-3-yl)methoxy]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 82865959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).