1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine

C16H21N3 — CID 103006983

IUPAC1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCn1cc(CCC2(N)CCCc3ccccc32)cn1
InChIInChI=1S/C16H21N3/c1-19-12-13(11-18-19)8-10-16(17)9-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,11-12H,4,6,8-10,17H2,1H3
InChIKeyLVKMMFXJQROZHV-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.54
Rot. Bonds3

About 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine

1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine (PubChem CID 103006983) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine.

Molecular Properties

Compound Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine
PubChem CID103006983
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine
SMILESCn1cc(CCC2(N)CCCc3ccccc32)cn1
InChIInChI=1S/C16H21N3/c1-19-12-13(11-18-19)8-10-16(17)9-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,11-12H,4,6,8-10,17H2,1H3
InChIKeyLVKMMFXJQROZHV-UHFFFAOYSA-N
XLogP2.54
TPSA43.84 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 ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine?
The IUPAC name of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine (CID 103006983) is 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine.
What is the SMILES notation for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine?
The canonical SMILES for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine is Cn1cc(CCC2(N)CCCc3ccccc32)cn1.
What is the InChIKey of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine?
The InChIKey is LVKMMFXJQROZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-19-12-13(11-18-19)8-10-16(17)9-4-6-14-5-2-3-7-15(14)16/h2-3,5,7,11-12H,4,6,8-10,17H2,1H3.
What are the key properties of 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine?
1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine has a molecular weight of 255.37 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylpyrazol-4-yl)ethyl]-3,4-dihydro-2H-naphthalen-1-amine is sourced from PubChem (CID 103006983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).