2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C13H16N4O2 — CID 107074869

IUPAC2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H16N4O2/c1-9(8-17-6-2-5-15-17)16-13(19)11-7-10(18)3-4-12(11)14/h2-7,9,18H,8,14H2,1H3,(H,16,19)
InChIKeyYXAQJUCAJZMGKR-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 107074869) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID107074869
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H16N4O2/c1-9(8-17-6-2-5-15-17)16-13(19)11-7-10(18)3-4-12(11)14/h2-7,9,18H,8,14H2,1H3,(H,16,19)
InChIKeyYXAQJUCAJZMGKR-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
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

2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
3-amino-4-(dimethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459817
2-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915
2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
CID 102739283
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617127
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 107074869) is 2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is YXAQJUCAJZMGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(8-17-6-2-5-15-17)16-13(19)11-7-10(18)3-4-12(11)14/h2-7,9,18H,8,14H2,1H3,(H,16,19).
What are the key properties of 2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 0.99, 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-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 107074869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).