2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide

C12H14N4O2 — CID 115290771

IUPAC2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2ccccc2O)cn1
InChIInChI=1S/C12H14N4O2/c1-16-7-8(6-14-16)11(13)12(18)15-9-4-2-3-5-10(9)17/h2-7,11,17H,13H2,1H3,(H,15,18)
InChIKeyFNNAUMWSZBRRSS-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290771) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290771
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide
SMILESCn1cc(C(N)C(=O)Nc2ccccc2O)cn1
InChIInChI=1S/C12H14N4O2/c1-16-7-8(6-14-16)11(13)12(18)15-9-4-2-3-5-10(9)17/h2-7,11,17H,13H2,1H3,(H,15,18)
InChIKeyFNNAUMWSZBRRSS-UHFFFAOYSA-N
XLogP0.76
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]benzoate
CID 115289802
2-amino-N-(1H-indazol-4-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290057
2-amino-N-(2,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289607
2-amino-N-(4-chloro-3-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 83166938
2-amino-N-(3-fluoro-4-pyridinyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107594967
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-2-hydroxybenzoic acid
CID 115290303
2-amino-N-(4-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289709
2-amino-N-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylpyrazol-4-yl)acetamide
CID 107842800
2-amino-N-(3-iodophenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 113279787
2-amino-2-(1-methylpyrazol-4-yl)-N-quinolin-3-ylacetamide
CID 115289913
2-amino-N-(3,5-dimethylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289627
2-amino-2-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)acetamide
CID 115289678

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide (CID 115290771) is 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide is Cn1cc(C(N)C(=O)Nc2ccccc2O)cn1.
What is the InChIKey of 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is FNNAUMWSZBRRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-7-8(6-14-16)11(13)12(18)15-9-4-2-3-5-10(9)17/h2-7,11,17H,13H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 0.76, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyphenyl)-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).