1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine

C18H21N3 — CID 61226739

IUPAC1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(CC(N)c2ccc3ccccc3c2)c(C)c1C
InChIInChI=1S/C18H21N3/c1-12-13(2)20-21(14(12)3)11-18(19)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,18H,11,19H2,1-3H3
InChIKeyWHHCAHDQUZBMBG-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.66
Rot. Bonds3

About 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine

1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine (PubChem CID 61226739) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
PubChem CID61226739
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine
SMILESCc1nn(CC(N)c2ccc3ccccc3c2)c(C)c1C
InChIInChI=1S/C18H21N3/c1-12-13(2)20-21(14(12)3)11-18(19)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,18H,11,19H2,1-3H3
InChIKeyWHHCAHDQUZBMBG-UHFFFAOYSA-N
XLogP3.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine (CID 61226739) is 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine is Cc1nn(CC(N)c2ccc3ccccc3c2)c(C)c1C.
What is the InChIKey of 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine?
The InChIKey is WHHCAHDQUZBMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-12-13(2)20-21(14(12)3)11-18(19)17-9-8-15-6-4-5-7-16(15)10-17/h4-10,18H,11,19H2,1-3H3.
What are the key properties of 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine?
1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine has a molecular weight of 279.39 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-2-(3,4,5-trimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 61226739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).