1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol

C17H19N3O — CID 78916548

IUPAC1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol
SMILESCn1cc(CCNCc2c(O)ccc3ccccc23)cn1
InChIInChI=1S/C17H19N3O/c1-20-12-13(10-19-20)8-9-18-11-16-15-5-3-2-4-14(15)6-7-17(16)21/h2-7,10,12,18,21H,8-9,11H2,1H3
InChIKeyPHRWNKPLZNGNIP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.61
Rot. Bonds5

About 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol

1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol (PubChem CID 78916548) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol
PubChem CID78916548
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol
SMILESCn1cc(CCNCc2c(O)ccc3ccccc23)cn1
InChIInChI=1S/C17H19N3O/c1-20-12-13(10-19-20)8-9-18-11-16-15-5-3-2-4-14(15)6-7-17(16)21/h2-7,10,12,18,21H,8-9,11H2,1H3
InChIKeyPHRWNKPLZNGNIP-UHFFFAOYSA-N
XLogP2.61
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-difluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730093
1-[(2-thiophen-3-ylethylamino)methyl]naphthalen-2-ol
CID 61475104
N-[(1-methylpyrazol-4-yl)methyl]-2-phenylethanamine;hydrochloride
CID 126966836
4-[2-[(1-methylpyrazol-4-yl)methylamino]ethyl]phenol
CID 61238205
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918
N-(1,3-benzothiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688664
methyl 2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]benzoate
CID 80682018
N-[2-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenyl]acetamide
CID 80681991
N-[(4-fluorophenyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 112730059
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
CID 104954359
N-[(6-methoxy-2-pyridinyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 80688976

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol (CID 78916548) is 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol is Cn1cc(CCNCc2c(O)ccc3ccccc23)cn1.
What is the InChIKey of 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol?
The InChIKey is PHRWNKPLZNGNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-20-12-13(10-19-20)8-9-18-11-16-15-5-3-2-4-14(15)6-7-17(16)21/h2-7,10,12,18,21H,8-9,11H2,1H3.
What are the key properties of 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol?
1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol has a molecular weight of 281.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]naphthalen-2-ol is sourced from PubChem (CID 78916548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).