N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide

C10H17N5O2 — CID 76977761

IUPACN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide
SMILESCCN(CCC(N)=NO)C(=O)c1ccnn1C
InChIInChI=1S/C10H17N5O2/c1-3-15(7-5-9(11)13-17)10(16)8-4-6-12-14(8)2/h4,6,17H,3,5,7H2,1-2H3,(H2,11,13)
InChIKeyHRADLOIONMLOAE-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.02
Rot. Bonds5

About N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide

N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide (PubChem CID 76977761) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide
PubChem CID76977761
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide
SMILESCCN(CCC(N)=NO)C(=O)c1ccnn1C
InChIInChI=1S/C10H17N5O2/c1-3-15(7-5-9(11)13-17)10(16)8-4-6-12-14(8)2/h4,6,17H,3,5,7H2,1-2H3,(H2,11,13)
InChIKeyHRADLOIONMLOAE-UHFFFAOYSA-N
XLogP0.02
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.02
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'}

Analyze N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-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 N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide (CID 76977761) is N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide is CCN(CCC(N)=NO)C(=O)c1ccnn1C.
What is the InChIKey of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide?
The InChIKey is HRADLOIONMLOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-15(7-5-9(11)13-17)10(16)8-4-6-12-14(8)2/h4,6,17H,3,5,7H2,1-2H3,(H2,11,13).
What are the key properties of N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide?
N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-hydroxyiminopropyl)-N-ethyl-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 76977761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).