N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide

C12H13N5O3 — CID 76983819

IUPACN-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(COc1ccccc1NC(=O)c1cn[nH]c1)=NO
InChIInChI=1S/C12H13N5O3/c13-11(17-19)7-20-10-4-2-1-3-9(10)16-12(18)8-5-14-15-6-8/h1-6,19H,7H2,(H2,13,17)(H,14,15)(H,16,18)
InChIKeyODQZYWYTFFJVFW-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.79
Rot. Bonds5

About N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide

N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 76983819) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide
PubChem CID76983819
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC NameN-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide
SMILESNC(COc1ccccc1NC(=O)c1cn[nH]c1)=NO
InChIInChI=1S/C12H13N5O3/c13-11(17-19)7-20-10-4-2-1-3-9(10)16-12(18)8-5-14-15-6-8/h1-6,19H,7H2,(H2,13,17)(H,14,15)(H,16,18)
InChIKeyODQZYWYTFFJVFW-UHFFFAOYSA-N
XLogP0.79
TPSA125.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77113421
N-(2-aminophenyl)-1H-pyrazole-4-carboxamide
CID 43600055
N-(2-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532862
N-[2-(methoxymethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 61273892
N'-hydroxy-2-[2-(1H-imidazol-5-ylsulfonylamino)phenoxy]ethanimidamide
CID 77021280
N-[2-(2-amino-2-sulfanylideneethoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 43369535
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109
N-[2-(3-hydroxyprop-1-ynyl)phenyl]-1H-pyrazole-4-carboxamide
CID 63080851
1-N,4-N-bis[2-(2-methylprop-2-enoxy)phenyl]benzene-1,4-dicarboxamide
CID 17113421
N-(2-methoxy-3-pyridinyl)-1H-pyrazole-4-carboxamide
CID 60973003
N-(2-imidazol-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 60967253
N-[2-(3,3-dimethylbutyl)phenyl]-1H-pyrazole-4-carboxamide
CID 141162779

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide (CID 76983819) is N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide is NC(COc1ccccc1NC(=O)c1cn[nH]c1)=NO.
What is the InChIKey of N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is ODQZYWYTFFJVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c13-11(17-19)7-20-10-4-2-1-3-9(10)16-12(18)8-5-14-15-6-8/h1-6,19H,7H2,(H2,13,17)(H,14,15)(H,16,18).
What are the key properties of N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide?
N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 275.27 g/mol, XLogP of 0.79, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-hydroxyiminoethoxy)phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 76983819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).