2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide

C13H16N4O2 — CID 107075896

IUPAC2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
SMILESCc1nn(C)cc1CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H16N4O2/c1-8-9(7-17(2)16-8)6-15-13(19)11-5-10(18)3-4-12(11)14/h3-5,7,18H,6,14H2,1-2H3,(H,15,19)
InChIKeyIMFALOQLQISXJT-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.95
Rot. Bonds3

About 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide

2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide (PubChem CID 107075896) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide.

Molecular Properties

Compound Name2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
PubChem CID107075896
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide
SMILESCc1nn(C)cc1CNC(=O)c1cc(O)ccc1N
InChIInChI=1S/C13H16N4O2/c1-8-9(7-17(2)16-8)6-15-13(19)11-5-10(18)3-4-12(11)14/h3-5,7,18H,6,14H2,1-2H3,(H,15,19)
InChIKeyIMFALOQLQISXJT-UHFFFAOYSA-N
XLogP0.95
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 ≤ 50.95
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-amino-5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112670930
2-amino-4-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]benzamide
CID 112668155
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-hydroxy-4-methylbenzamide
CID 112670100
2-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylbenzamide
CID 115988916
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 112671836
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoyl]benzoic acid
CID 115989224
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-fluorobenzamide
CID 112668766
2,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]thiophene-3-carboxamide
CID 104920731
2-amino-5-hydroxy-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzamide
CID 107074730
5-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 112671835
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-hydroxy-2-methylbenzamide
CID 103899206

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide?
The IUPAC name of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide (CID 107075896) is 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide.
What is the SMILES notation for 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide?
The canonical SMILES for 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide is Cc1nn(C)cc1CNC(=O)c1cc(O)ccc1N.
What is the InChIKey of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide?
The InChIKey is IMFALOQLQISXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-9(7-17(2)16-8)6-15-13(19)11-5-10(18)3-4-12(11)14/h3-5,7,18H,6,14H2,1-2H3,(H,15,19).
What are the key properties of 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide?
2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide has a molecular weight of 260.30 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxybenzamide is sourced from PubChem (CID 107075896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).