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

C15H19N3 — CID 82869700

IUPAC2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCn1ccc(CC2(N)CCc3ccccc3C2)n1
InChIInChI=1S/C15H19N3/c1-18-9-7-14(17-18)11-15(16)8-6-12-4-2-3-5-13(12)10-15/h2-5,7,9H,6,8,10-11,16H2,1H3
InChIKeyARYQGGWJTJGHDE-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.85
Rot. Bonds2

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

2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine (PubChem CID 82869700) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
PubChem CID82869700
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine
SMILESCn1ccc(CC2(N)CCc3ccccc3C2)n1
InChIInChI=1S/C15H19N3/c1-18-9-7-14(17-18)11-15(16)8-6-12-4-2-3-5-13(12)10-15/h2-5,7,9H,6,8,10-11,16H2,1H3
InChIKeyARYQGGWJTJGHDE-UHFFFAOYSA-N
XLogP1.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine (CID 82869700) is 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine is Cn1ccc(CC2(N)CCc3ccccc3C2)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
The InChIKey is ARYQGGWJTJGHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-18-9-7-14(17-18)11-15(16)8-6-12-4-2-3-5-13(12)10-15/h2-5,7,9H,6,8,10-11,16H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine?
2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine has a molecular weight of 241.34 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methyl]-3,4-dihydro-1H-naphthalen-2-amine is sourced from PubChem (CID 82869700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).