2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide

C13H15N3O3 — CID 107723981

IUPAC2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1nccc1CCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H15N3O3/c1-16-9(5-7-15-16)4-6-14-13(19)11-8-10(17)2-3-12(11)18/h2-3,5,7-8,17-18H,4,6H2,1H3,(H,14,19)
InChIKeyLYFWRADVAZVGIW-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.80
Rot. Bonds4

About 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide

2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 107723981) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID107723981
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1nccc1CCNC(=O)c1cc(O)ccc1O
InChIInChI=1S/C13H15N3O3/c1-16-9(5-7-15-16)4-6-14-13(19)11-8-10(17)2-3-12(11)18/h2-3,5,7-8,17-18H,4,6H2,1H3,(H,14,19)
InChIKeyLYFWRADVAZVGIW-UHFFFAOYSA-N
XLogP0.80
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693736
2-hydroxy-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693761
5-bromo-2-hydroxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 36886831
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
3,4,5-trifluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693722
5-amino-2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004068
4-(ethylamino)-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103011268
4-amino-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazole-3-carboxamide
CID 103004054
2,5-dihydroxy-N-[2-(methylamino)ethyl]benzamide
CID 107725066
5-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 104693705
2-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 104693681
3-amino-4-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 103004037

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide (CID 107723981) is 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is Cn1nccc1CCNC(=O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is LYFWRADVAZVGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-16-9(5-7-15-16)4-6-14-13(19)11-8-10(17)2-3-12(11)18/h2-3,5,7-8,17-18H,4,6H2,1H3,(H,14,19).
What are the key properties of 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide?
2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 261.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 107723981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).