2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol

C17H19N3O — CID 102805452

IUPAC2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol
SMILESCc1nn(C)cc1NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O/c1-12-16(11-20(2)19-12)18-10-17(21)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11,17-18,21H,10H2,1-2H3
InChIKeyLZXUBYOJXYEMTP-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.03
Rot. Bonds4

About 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol

2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol (PubChem CID 102805452) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol
PubChem CID102805452
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol
SMILESCc1nn(C)cc1NCC(O)c1ccc2ccccc2c1
InChIInChI=1S/C17H19N3O/c1-12-16(11-20(2)19-12)18-10-17(21)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11,17-18,21H,10H2,1-2H3
InChIKeyLZXUBYOJXYEMTP-UHFFFAOYSA-N
XLogP3.03
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylanilino)-1-naphthalen-2-ylethanol
CID 60903235
1-[[(1,3-dimethylpyrazol-4-yl)amino]methyl]naphthalen-2-ol
CID 104954359
2-(2,2-dimethylpropylamino)-1-naphthalen-2-ylethanol
CID 61167220
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 75381510
2-(2,2-dimethylhydrazinyl)-1-naphthalen-2-ylethanol
CID 83014779
(1R)-2-[[(2S)-3,3-dimethylbutan-2-yl]amino]-1-naphthalen-2-ylethanol
CID 124562243
2-[[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]amino]-2-methylpropane-1,3-diol
CID 124571352
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111481795
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2,6-dimethylpyridine-3-carboxamide
CID 56785820
2-(dimethylamino)-1-naphthalen-2-ylethanol
CID 60981028
ethane;1-naphthalen-2-ylpropan-1-ol
CID 143858826
1-naphthalen-2-yl-2-[(3-propan-2-yloxypyrazin-2-yl)amino]ethanol
CID 133470787

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol (CID 102805452) is 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol is Cc1nn(C)cc1NCC(O)c1ccc2ccccc2c1.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol?
The InChIKey is LZXUBYOJXYEMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-16(11-20(2)19-12)18-10-17(21)15-8-7-13-5-3-4-6-14(13)9-15/h3-9,11,17-18,21H,10H2,1-2H3.
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol?
2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol has a molecular weight of 281.36 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)amino]-1-naphthalen-2-ylethanol is sourced from PubChem (CID 102805452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).