2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide

C13H16N4O2 — CID 106103789

IUPAC2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1ccc(CCNC(=O)c2cc(O)ccc2N)n1
InChIInChI=1S/C13H16N4O2/c1-17-7-5-9(16-17)4-6-15-13(19)11-8-10(18)2-3-12(11)14/h2-3,5,7-8,18H,4,6,14H2,1H3,(H,15,19)
InChIKeyXHJIBKCMDMOGKP-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.68
Rot. Bonds4

About 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide

2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (PubChem CID 106103789) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
PubChem CID106103789
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
SMILESCn1ccc(CCNC(=O)c2cc(O)ccc2N)n1
InChIInChI=1S/C13H16N4O2/c1-17-7-5-9(16-17)4-6-15-13(19)11-8-10(18)2-3-12(11)14/h2-3,5,7-8,18H,4,6,14H2,1H3,(H,15,19)
InChIKeyXHJIBKCMDMOGKP-UHFFFAOYSA-N
XLogP0.68
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-3-carboxamide
CID 106106388
3-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 106104946
2-amino-3-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103857
5-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]-1H-pyrazole-4-carboxamide
CID 106106156
5-amino-2-(dimethylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103817
2-bromo-5-fluoro-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 104627197
2-amino-3-methoxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106103852
2-methyl-4-(methylamino)-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide
CID 106106392
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037
4-hydroxy-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113343584
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrazine-2-carboxamide
CID 106106375
6-amino-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 114144108

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide (CID 106103789) is 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is Cn1ccc(CCNC(=O)c2cc(O)ccc2N)n1.
What is the InChIKey of 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is XHJIBKCMDMOGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17-7-5-9(16-17)4-6-15-13(19)11-8-10(18)2-3-12(11)14/h2-3,5,7-8,18H,4,6,14H2,1H3,(H,15,19).
What are the key properties of 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide?
2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 260.30 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-N-[2-(1-methylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 106103789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).