N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide

C16H15N3O2 — CID 172965118

IUPACN-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccn[nH]1)c1c(O)ccc2ccccc12
InChIInChI=1S/C16H15N3O2/c1-10(20)18-16(13-8-9-17-19-13)15-12-5-3-2-4-11(12)6-7-14(15)21/h2-9,16,21H,1H3,(H,17,19)(H,18,20)
InChIKeyBUIBXWDBNZIXBU-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.49
Rot. Bonds3

About N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide

N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide (PubChem CID 172965118) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide
PubChem CID172965118
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC NameN-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide
SMILESCC(=O)NC(c1ccn[nH]1)c1c(O)ccc2ccccc12
InChIInChI=1S/C16H15N3O2/c1-10(20)18-16(13-8-9-17-19-13)15-12-5-3-2-4-11(12)6-7-14(15)21/h2-9,16,21H,1H3,(H,17,19)(H,18,20)
InChIKeyBUIBXWDBNZIXBU-UHFFFAOYSA-N
XLogP2.49
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(2-hydroxy-1-naphthyl)methyleneamino]-1H-pyrazole-5-carboxamide
CID 135400494
2-(Pyrazol-5-yl)-alpha-naphthol
CID 135518062
N-[(1,3-diphenylpyrazol-4-yl)-(2-hydroxynaphthalen-1-yl)methyl]acetamide
CID 71577834
6-{[methyl(1H-pyrazol-3-ylmethyl)amino]methyl}-2-naphthol
CID 74232118
N'-[(2-hydroxy-1-naphthyl)methylene]-2-(3-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 135533788
4-fluoro-3-(1H-pyrazol-5-yl)naphthalen-2-ol
CID 171476207
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 774351
1-(1H-pyrazol-5-yl)naphthalen-2-ol
CID 135474194
3-[5-(1h-Pyrazol-4-yl)-1h-pyrazol-3-yl] naphthalen-2-ol
CID 155292913
N-[(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 2344923
4'-fluoro-3-{[methyl(1H-pyrazol-5-ylmethyl)amino]methyl}-4-biphenylol
CID 28634853
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 135576769

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide?
The IUPAC name of N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide (CID 172965118) is N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide.
What is the SMILES notation for N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide?
The canonical SMILES for N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide is CC(=O)NC(c1ccn[nH]1)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide?
The InChIKey is BUIBXWDBNZIXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-10(20)18-16(13-8-9-17-19-13)15-12-5-3-2-4-11(12)6-7-14(15)21/h2-9,16,21H,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide?
N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide has a molecular weight of 281.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxynaphthalen-1-yl)-(1H-pyrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 172965118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).