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

C16H21N3 — CID 62126210

IUPACN-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1cnn(C)c1
InChIInChI=1S/C16H21N3/c1-17-16-14(9-12-10-18-19(2)11-12)8-7-13-5-3-4-6-15(13)16/h3-6,10-11,14,16-17H,7-9H2,1-2H3
InChIKeyGZOBSTQLHGWVCZ-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.49
Rot. Bonds3

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

N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 62126210) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID62126210
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCNC1c2ccccc2CCC1Cc1cnn(C)c1
InChIInChI=1S/C16H21N3/c1-17-16-14(9-12-10-18-19(2)11-12)8-7-13-5-3-4-6-15(13)16/h3-6,10-11,14,16-17H,7-9H2,1-2H3
InChIKeyGZOBSTQLHGWVCZ-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl]-1-methylpyrazole
CID 55040438
N-methyl-2-[(1-methyltriazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107044649
N-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103004433
2-[(3,5-dimethylphenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399923
2-[(3-chloro-4-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 103038628
N-methyl-2-(1,3-thiazol-5-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 112641299
2-[(2-chlorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63400274
N-methyl-2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 83157787
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010749
N-methyl-4-[(1-methylpyrazol-4-yl)methyl]thiolan-3-amine
CID 83196394
2-(2-ethylsulfanylethyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113473884
2-[(4-bromo-2-fluorophenyl)methyl]-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63399921

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 62126210) is N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CNC1c2ccccc2CCC1Cc1cnn(C)c1.
What is the InChIKey of N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is GZOBSTQLHGWVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-17-16-14(9-12-10-18-19(2)11-12)8-7-13-5-3-4-6-15(13)16/h3-6,10-11,14,16-17H,7-9H2,1-2H3.
What are the key properties of N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 62126210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).