2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide

C13H16N4O2 — CID 107073845

IUPAC2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H16N4O2/c1-8(2)17-12(5-6-15-17)16-13(19)10-7-9(18)3-4-11(10)14/h3-8,18H,14H2,1-2H3,(H,16,19)
InChIKeyVFBRZUJVQODFGI-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.00
Rot. Bonds3

About 2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide

2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide (PubChem CID 107073845) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
PubChem CID107073845
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide
SMILESCC(C)n1nccc1NC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H16N4O2/c1-8(2)17-12(5-6-15-17)16-13(19)10-7-9(18)3-4-11(10)14/h3-8,18H,14H2,1-2H3,(H,16,19)
InChIKeyVFBRZUJVQODFGI-UHFFFAOYSA-N
XLogP2.00
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The IUPAC name of 2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide (CID 107073845) is 2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide is CC(C)n1nccc1NC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
The InChIKey is VFBRZUJVQODFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8(2)17-12(5-6-15-17)16-13(19)10-7-9(18)3-4-11(10)14/h3-8,18H,14H2,1-2H3,(H,16,19).
What are the key properties of 2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide?
2-amino-5-hydroxy-N-(2-propan-2-ylpyrazol-3-yl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 2.00, 3 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-propan-2-ylpyrazol-3-yl)benzamide is sourced from PubChem (CID 107073845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).