N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide

C12H13N5O2 — CID 76983689

IUPACN-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=NO)C(NC(=O)c1cn[nH]c1)c1ccccc1
InChIInChI=1S/C12H13N5O2/c13-11(17-19)10(8-4-2-1-3-5-8)16-12(18)9-6-14-15-7-9/h1-7,10,19H,(H2,13,17)(H,14,15)(H,16,18)
InChIKeyMWGGOPHRXICJHO-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.63
Rot. Bonds4

About N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide

N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 76983689) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide
PubChem CID76983689
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide
SMILESNC(=NO)C(NC(=O)c1cn[nH]c1)c1ccccc1
InChIInChI=1S/C12H13N5O2/c13-11(17-19)10(8-4-2-1-3-5-8)16-12(18)9-6-14-15-7-9/h1-7,10,19H,(H2,13,17)(H,14,15)(H,16,18)
InChIKeyMWGGOPHRXICJHO-UHFFFAOYSA-N
XLogP0.63
TPSA116.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-amino-2-hydroxyimino-1-phenylethyl)-5-bromopyridine-2-carboxamide
CID 76978921
N-[(2E)-2-amino-2-hydroxyimino-1-phenylethyl]-5-bromothiophene-3-carboxamide
CID 107965133
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-pyrazole-4-carboxamide
CID 113356455
N-[(2Z)-2-amino-2-hydroxyimino-1-phenylethyl]-1-methylimidazole-4-carboxamide
CID 107974192
N-(2-ethyl-1-phenylbutyl)-1H-pyrazole-4-carboxamide
CID 61259747
N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiadiazole-5-carboxamide
CID 77059315
N-(2-amino-2-hydroxyimino-1-phenylethyl)-4-methylthiophene-3-carboxamide
CID 79808144
N-(2-amino-2-hydroxyimino-1-phenylethyl)-3-methylbutanamide
CID 76891327
N-propan-2-yl-1H-pyrazole-4-carboxamide
CID 20785130
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-6-methylpyridine-3-carboxamide
CID 94608879
N-(2-amino-2-oxo-1-phenylethyl)-1H-indazole-7-carboxamide
CID 166189674
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-1H-pyrazole-4-carboxamide
CID 55182109

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide (CID 76983689) is N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide is NC(=NO)C(NC(=O)c1cn[nH]c1)c1ccccc1.
What is the InChIKey of N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is MWGGOPHRXICJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c13-11(17-19)10(8-4-2-1-3-5-8)16-12(18)9-6-14-15-7-9/h1-7,10,19H,(H2,13,17)(H,14,15)(H,16,18).
What are the key properties of N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide?
N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyimino-1-phenylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 76983689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).