N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine

C18H21N3 — CID 43749288

IUPACN-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NC(C)c1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-14(13-21-12-6-11-19-21)20-15(2)17-10-5-8-16-7-3-4-9-18(16)17/h3-12,14-15,20H,13H2,1-2H3
InChIKeyNIMJUWOEVWAASX-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.78
Rot. Bonds5

About N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine

N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine (PubChem CID 43749288) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine
PubChem CID43749288
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC NameN-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine
SMILESCC(Cn1cccn1)NC(C)c1cccc2ccccc12
InChIInChI=1S/C18H21N3/c1-14(13-21-12-6-11-19-21)20-15(2)17-10-5-8-16-7-3-4-9-18(16)17/h3-12,14-15,20H,13H2,1-2H3
InChIKeyNIMJUWOEVWAASX-UHFFFAOYSA-N
XLogP3.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine?
The IUPAC name of N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine (CID 43749288) is N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine.
What is the SMILES notation for N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine?
The canonical SMILES for N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine is CC(Cn1cccn1)NC(C)c1cccc2ccccc12.
What is the InChIKey of N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine?
The InChIKey is NIMJUWOEVWAASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-14(13-21-12-6-11-19-21)20-15(2)17-10-5-8-16-7-3-4-9-18(16)17/h3-12,14-15,20H,13H2,1-2H3.
What are the key properties of N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine?
N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine has a molecular weight of 279.39 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-naphthalen-1-ylethyl)-1-pyrazol-1-ylpropan-2-amine is sourced from PubChem (CID 43749288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).