2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol

C24H25N3O2 — CID 45197233

IUPAC2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol
SMILESCOc1ccc2cc(-c3[nH]ncc3CN(C)CC(O)c3ccccc3)ccc2c1
InChIInChI=1S/C24H25N3O2/c1-27(16-23(28)17-6-4-3-5-7-17)15-21-14-25-26-24(21)20-9-8-19-13-22(29-2)11-10-18(19)12-20/h3-14,23,28H,15-16H2,1-2H3,(H,25,26)
InChIKeyINKIPIBMXVCCEI-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.40
Rot. Bonds7

About 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol

2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol (PubChem CID 45197233) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol
PubChem CID45197233
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol
SMILESCOc1ccc2cc(-c3[nH]ncc3CN(C)CC(O)c3ccccc3)ccc2c1
InChIInChI=1S/C24H25N3O2/c1-27(16-23(28)17-6-4-3-5-7-17)15-21-14-25-26-24(21)20-9-8-19-13-22(29-2)11-10-18(19)12-20/h3-14,23,28H,15-16H2,1-2H3,(H,25,26)
InChIKeyINKIPIBMXVCCEI-UHFFFAOYSA-N
XLogP4.40
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(1H-pyrazol-5-yl)methanamine
CID 42094203
N-(2-methoxyethyl)-N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 23724027
(R)-[1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-pyridin-3-ylmethanol
CID 25274602
N-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]-1-phenylcyclopropan-1-amine
CID 42098289
2-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-4-(6-methoxy-2-pyridinyl)phenol
CID 135971339
N,N'-dimethyl-N'-[[5-(4-phenoxyphenyl)-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 86271990
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 60981581
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
N-[(5-naphthalen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 79485160
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-1-phenylethanol
CID 20766059
(1S)-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 95628605
2-[(2S)-1-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl]pyrrolidin-2-yl]pyridine
CID 42193708

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol?
The IUPAC name of 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol (CID 45197233) is 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol?
The canonical SMILES for 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol is COc1ccc2cc(-c3[nH]ncc3CN(C)CC(O)c3ccccc3)ccc2c1.
What is the InChIKey of 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol?
The InChIKey is INKIPIBMXVCCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-27(16-23(28)17-6-4-3-5-7-17)15-21-14-25-26-24(21)20-9-8-19-13-22(29-2)11-10-18(19)12-20/h3-14,23,28H,15-16H2,1-2H3,(H,25,26).
What are the key properties of 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol?
2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol has a molecular weight of 387.48 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]-1-phenylethanol is sourced from PubChem (CID 45197233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).