N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide

C10H17N5O2 — CID 114219118

IUPACN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCCN(C/C(N)=N/O)C(=O)c1cc(C)n(C)n1
InChIInChI=1S/C10H17N5O2/c1-4-15(6-9(11)13-17)10(16)8-5-7(2)14(3)12-8/h5,17H,4,6H2,1-3H3,(H2,11,13)
InChIKeyRNVQISUJOPVIKV-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.06
Rot. Bonds4

About N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide

N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 114219118) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide
PubChem CID114219118
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide
SMILESCCN(C/C(N)=N/O)C(=O)c1cc(C)n(C)n1
InChIInChI=1S/C10H17N5O2/c1-4-15(6-9(11)13-17)10(16)8-5-7(2)14(3)12-8/h5,17H,4,6H2,1-3H3,(H2,11,13)
InChIKeyRNVQISUJOPVIKV-UHFFFAOYSA-N
XLogP-0.06
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.06
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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Frequently Asked Questions

What is the IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide (CID 114219118) is N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide is CCN(C/C(N)=N/O)C(=O)c1cc(C)n(C)n1.
What is the InChIKey of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is RNVQISUJOPVIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-4-15(6-9(11)13-17)10(16)8-5-7(2)14(3)12-8/h5,17H,4,6H2,1-3H3,(H2,11,13).
What are the key properties of N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide?
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-ethyl-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 114219118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).