N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

C16H17N3 — CID 79485160

IUPACN-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3/c1-2-17-10-15-11-18-19-16(15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,17H,2,10H2,1H3,(H,18,19)
InChIKeyNZEADHWINCWOQL-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.34
Rot. Bonds4

About N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine

N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (PubChem CID 79485160) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
PubChem CID79485160
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC NameN-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
SMILESCCNCc1cn[nH]c1-c1ccc2ccccc2c1
InChIInChI=1S/C16H17N3/c1-2-17-10-15-11-18-19-16(15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,17H,2,10H2,1H3,(H,18,19)
InChIKeyNZEADHWINCWOQL-UHFFFAOYSA-N
XLogP3.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine with MolForge

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Related Compounds

N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
N-[[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484566
N-[[5-[4-(2,2,2-trifluoroethylsulfanyl)phenyl]-1H-pyrazol-4-yl]methyl]ethanamine
CID 79490183
N-[[5-(2,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484479
N-[[5-(2-chloroimidazo[1,2-a]pyridin-3-yl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 79484480
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4653228
N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 47271559
2-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 115616849
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine
CID 42098289
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-[2-(pyrazol-1-ylmethyl)phenyl]methanamine
CID 17446645
N-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
CID 4538755

Frequently Asked Questions

What is the IUPAC name of N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine (CID 79485160) is N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is CCNCc1cn[nH]c1-c1ccc2ccccc2c1.
What is the InChIKey of N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
The InChIKey is NZEADHWINCWOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-17-10-15-11-18-19-16(15)14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11,17H,2,10H2,1H3,(H,18,19).
What are the key properties of N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine?
N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine has a molecular weight of 251.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 79485160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).