(2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

C12H12N4O3 — CID 57396794

IUPAC(2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)/C=N/O)c(=O)n1-c1ccccc1
InChIInChI=1S/C12H12N4O3/c1-15-8-10(14-11(17)7-13-19)12(18)16(15)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,14,17)/b13-7+
InChIKeyVQSSYRKQPOUEJM-NTUHNPAUSA-N
MW260.25 g/mol
LogP0.57
Rot. Bonds3

About (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide

(2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (PubChem CID 57396794) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
PubChem CID57396794
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name(2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
SMILESCn1cc(NC(=O)/C=N/O)c(=O)n1-c1ccccc1
InChIInChI=1S/C12H12N4O3/c1-15-8-10(14-11(17)7-13-19)12(18)16(15)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,14,17)/b13-7+
InChIKeyVQSSYRKQPOUEJM-NTUHNPAUSA-N
XLogP0.57
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2Z)-2-hydroxyimino-N-(2-methylphenyl)acetamide
CID 6399046
4-iodo-1-methyl-2-phenylpyrazol-3-one
CID 134097114
methyl 2-[[(2E)-2-hydroxyiminoacetyl]amino]benzoate
CID 6904179
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
3-(1-ethyl-3-methylpyrazol-4-yl)-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 121460770
(2Z)-N-(2,3-difluorophenyl)-2-hydroxyiminoacetamide
CID 87601247
4-[(1,3-dimethyl-5-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoic acid
CID 670504
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)but-2-enamide
CID 75611382
N-(5-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-hydroxyiminoacetamide
CID 76727667
(Z)-4-[(1,3-dimethyl-5-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoate
CID 2294161
(2E)-N-(4-chloro-2-fluoro-3-methoxyphenyl)-2-hydroxyiminoacetamide
CID 170552143
(2E)-2-hydroxyimino-N-(3-phenoxyphenyl)acetamide
CID 10988880

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide (CID 57396794) is (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is Cn1cc(NC(=O)/C=N/O)c(=O)n1-c1ccccc1.
What is the InChIKey of (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
The InChIKey is VQSSYRKQPOUEJM-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-15-8-10(14-11(17)7-13-19)12(18)16(15)9-5-3-2-4-6-9/h2-8,19H,1H3,(H,14,17)/b13-7+.
What are the key properties of (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide?
(2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide has a molecular weight of 260.25 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-(1-methyl-3-oxo-2-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 57396794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).