N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine

C17H19N3 — CID 43492495

IUPACN-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cccc2ccccc12
InChIInChI=1S/C17H19N3/c1-3-18-17(14-11-19-20(2)12-14)16-10-6-8-13-7-4-5-9-15(13)16/h4-12,17-18H,3H2,1-2H3
InChIKeyINPHRGCITFGJPV-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.27
Rot. Bonds4

About N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine

N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine (PubChem CID 43492495) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
PubChem CID43492495
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
SMILESCCNC(c1cnn(C)c1)c1cccc2ccccc12
InChIInChI=1S/C17H19N3/c1-3-18-17(14-11-19-20(2)12-14)16-10-6-8-13-7-4-5-9-15(13)16/h4-12,17-18H,3H2,1-2H3
InChIKeyINPHRGCITFGJPV-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylpyrazol-4-yl)-1-naphthalen-1-ylmethanamine
CID 43485969
N-[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81153707
N-[(2,3-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492469
N-[(1-methylpyrazol-4-yl)-quinolin-4-ylmethyl]ethanamine
CID 105104643
N-[(3-bromo-2-methylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808627
N-[(2-fluoro-3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 82808028
N-[(1-methylpyrazol-4-yl)-(3-phenyltriazol-4-yl)methyl]ethanamine
CID 114687984
N-[(2-bromophenyl)-(1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 43497333
N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114104180
N-[(1,3-dimethylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine
CID 102803470
N-[3,4-dihydro-2H-chromen-8-yl-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114745509
N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 102812063

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine (CID 43492495) is N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine is CCNC(c1cnn(C)c1)c1cccc2ccccc12.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine?
The InChIKey is INPHRGCITFGJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-3-18-17(14-11-19-20(2)12-14)16-10-6-8-13-7-4-5-9-15(13)16/h4-12,17-18H,3H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine?
N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)-naphthalen-1-ylmethyl]ethanamine is sourced from PubChem (CID 43492495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).