N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide

C11H19N5O2 — CID 54987485

IUPACN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N5O2/c1-4-16(6-8(2)10(12)14-18)11(17)9-5-13-15(3)7-9/h5,7-8,18H,4,6H2,1-3H3,(H2,12,14)
InChIKeyCPMQBPSDBQIOPM-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.26
Rot. Bonds5

About N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide

N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 54987485) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID54987485
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC NameN-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCN(CC(C)/C(N)=N/O)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H19N5O2/c1-4-16(6-8(2)10(12)14-18)11(17)9-5-13-15(3)7-9/h5,7-8,18H,4,6H2,1-3H3,(H2,12,14)
InChIKeyCPMQBPSDBQIOPM-UHFFFAOYSA-N
XLogP0.26
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.26
H-Bond Donors ≤ 52
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-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-3-carboxamide
CID 103121379
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3,5-dihydroxybenzamide
CID 107705588
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-4-methoxybenzamide
CID 76910706
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-3-hydroxybenzamide
CID 54987785
N-ethyl-1-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 47140649
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-1,3-thiazole-4-carboxamide
CID 76982221
N-(3-amino-3-hydroxyimino-2-methylpropyl)-3-(dimethylamino)-N-ethylbenzamide
CID 76910771
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,6-difluorobenzamide
CID 76910656
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethylthiophene-2-carboxamide
CID 54987293
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N-ethyl-2,4,6-trifluorobenzamide
CID 77056008

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide (CID 54987485) is N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide is CCN(CC(C)/C(N)=N/O)C(=O)c1cnn(C)c1.
What is the InChIKey of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is CPMQBPSDBQIOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-4-16(6-8(2)10(12)14-18)11(17)9-5-13-15(3)7-9/h5,7-8,18H,4,6H2,1-3H3,(H2,12,14).
What are the key properties of N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of 0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-amino-3-hydroxyimino-2-methylpropyl]-N-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 54987485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).