N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine

C16H15N3 — CID 106935180

IUPACN-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine
SMILESC=Cn1cc(CNc2cccc3ccccc23)cn1
InChIInChI=1S/C16H15N3/c1-2-19-12-13(11-18-19)10-17-16-9-5-7-14-6-3-4-8-15(14)16/h2-9,11-12,17H,1,10H2
InChIKeyOEUVWGKIYJWXBE-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.75
Rot. Bonds4

About N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine

N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine (PubChem CID 106935180) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine.

Molecular Properties

Compound NameN-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine
PubChem CID106935180
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC NameN-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine
SMILESC=Cn1cc(CNc2cccc3ccccc23)cn1
InChIInChI=1S/C16H15N3/c1-2-19-12-13(11-18-19)10-17-16-9-5-7-14-6-3-4-8-15(14)16/h2-9,11-12,17H,1,10H2
InChIKeyOEUVWGKIYJWXBE-UHFFFAOYSA-N
XLogP3.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935327
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methylsulfonylaniline
CID 106936174
N-[(1-ethenylpyrazol-4-yl)methyl]-2-ethoxyaniline
CID 106935198
3-[(1-ethenylpyrazol-4-yl)methylamino]-2-methylbenzenesulfonamide
CID 106936560
N-[(1-ethenylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 106935175
N-[(1-ethenylpyrazol-4-yl)methyl]-2-(2-methylpropoxy)aniline
CID 106936522
2,4,5-trichloro-N-[(1-ethenylpyrazol-4-yl)methyl]aniline
CID 106935218
N-[(1-ethenylpyrazol-4-yl)methyl]-2,5-dimethylpyrrol-1-amine
CID 106937029
N-[(1-ethenylpyrazol-4-yl)methyl]-2-methoxy-5-methylaniline
CID 106935285
N-[(1-ethenylpyrazol-4-yl)methyl]-4-methoxyaniline
CID 106935387
N-[(1-ethenylpyrazol-4-yl)methyl]quinolin-6-amine
CID 106936812
2-chloro-N-[(1-ethenylpyrazol-4-yl)methyl]-5-methylaniline
CID 107094615

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine?
The IUPAC name of N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine (CID 106935180) is N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine.
What is the SMILES notation for N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine?
The canonical SMILES for N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine is C=Cn1cc(CNc2cccc3ccccc23)cn1.
What is the InChIKey of N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine?
The InChIKey is OEUVWGKIYJWXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-19-12-13(11-18-19)10-17-16-9-5-7-14-6-3-4-8-15(14)16/h2-9,11-12,17H,1,10H2.
What are the key properties of N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine?
N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine has a molecular weight of 249.32 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethenylpyrazol-4-yl)methyl]naphthalen-1-amine is sourced from PubChem (CID 106935180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).