(4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide

C12H13N5O3 — CID 14698061

IUPAC(4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide
SMILESCNC(=O)N1N=C(N)/C(=N\OCc2ccccc2)C1=O
InChIInChI=1S/C12H13N5O3/c1-14-12(19)17-11(18)9(10(13)15-17)16-20-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,15)(H,14,19)/b16-9+
InChIKeyGREYFEPVPPQBIH-CXUHLZMHSA-N
MW275.27 g/mol
LogP0.01
Rot. Bonds3

About (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide

(4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide (PubChem CID 14698061) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide.

Molecular Properties

Compound Name(4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide
PubChem CID14698061
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name(4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide
SMILESCNC(=O)N1N=C(N)/C(=N\OCc2ccccc2)C1=O
InChIInChI=1S/C12H13N5O3/c1-14-12(19)17-11(18)9(10(13)15-17)16-20-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,15)(H,14,19)/b16-9+
InChIKeyGREYFEPVPPQBIH-CXUHLZMHSA-N
XLogP0.01
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide?
The IUPAC name of (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide (CID 14698061) is (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide.
What is the SMILES notation for (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide?
The canonical SMILES for (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide is CNC(=O)N1N=C(N)/C(=N\OCc2ccccc2)C1=O.
What is the InChIKey of (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide?
The InChIKey is GREYFEPVPPQBIH-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-14-12(19)17-11(18)9(10(13)15-17)16-20-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,13,15)(H,14,19)/b16-9+.
What are the key properties of (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide?
(4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-amino-N-methyl-5-oxo-4-phenylmethoxyiminopyrazole-1-carboxamide is sourced from PubChem (CID 14698061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).