1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine

C16H17N3 — CID 70764630

IUPAC1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)N)cnn1-c1cccc2ccccc12
InChIInChI=1S/C16H17N3/c1-11(17)15-10-18-19(12(15)2)16-9-5-7-13-6-3-4-8-14(13)16/h3-11H,17H2,1-2H3
InChIKeyBHFGQQDSCBQVKA-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.35
Rot. Bonds2

About 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine

1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine (PubChem CID 70764630) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
PubChem CID70764630
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)N)cnn1-c1cccc2ccccc12
InChIInChI=1S/C16H17N3/c1-11(17)15-10-18-19(12(15)2)16-9-5-7-13-6-3-4-8-14(13)16/h3-11H,17H2,1-2H3
InChIKeyBHFGQQDSCBQVKA-UHFFFAOYSA-N
XLogP3.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine (CID 70764630) is 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine is Cc1c(C(C)N)cnn1-c1cccc2ccccc12.
What is the InChIKey of 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The InChIKey is BHFGQQDSCBQVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-11(17)15-10-18-19(12(15)2)16-9-5-7-13-6-3-4-8-14(13)16/h3-11H,17H2,1-2H3.
What are the key properties of 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 70764630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).