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

C17H23N3 — CID 114554855

IUPACN-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCn1nccc1CNC1CCCc2ccccc21
InChIInChI=1S/C17H23N3/c1-2-12-20-15(10-11-19-20)13-18-17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10-11,17-18H,2,5,7,9,12-13H2,1H3
InChIKeyWJONVPPRQHZCNU-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.46
Rot. Bonds5

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

N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 114554855) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID114554855
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCCCn1nccc1CNC1CCCc2ccccc21
InChIInChI=1S/C17H23N3/c1-2-12-20-15(10-11-19-20)13-18-17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10-11,17-18H,2,5,7,9,12-13H2,1H3
InChIKeyWJONVPPRQHZCNU-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
1-(2-propylpyrazol-3-yl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanol
CID 114557066
N-[(2,3,6-trichlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43234580
4-ethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555631
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113425863
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646
2-[3,5-dimethyl-4-[[[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]amino]methyl]pyrazol-1-yl]ethanol
CID 95733883
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64801618
N-[(2,4,5-trimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43220614
3,3-dimethyl-N-[(2-propylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 114556221

Frequently Asked Questions

What is the IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 114554855) is N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is CCCn1nccc1CNC1CCCc2ccccc21.
What is the InChIKey of N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is WJONVPPRQHZCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-2-12-20-15(10-11-19-20)13-18-17-9-5-7-14-6-3-4-8-16(14)17/h3-4,6,8,10-11,17-18H,2,5,7,9,12-13H2,1H3.
What are the key properties of N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-propylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 114554855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).