N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide

C9H15N5O2 — CID 77113156

IUPACN-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(N)=NO
InChIInChI=1S/C9H15N5O2/c1-3-14-7(4-6(2)12-14)9(15)11-5-8(10)13-16/h4,16H,3,5H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyWDLJBYDFXHKWIP-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.31
Rot. Bonds4

About N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide

N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 77113156) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID77113156
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC NameN-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)NCC(N)=NO
InChIInChI=1S/C9H15N5O2/c1-3-14-7(4-6(2)12-14)9(15)11-5-8(10)13-16/h4,16H,3,5H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyWDLJBYDFXHKWIP-UHFFFAOYSA-N
XLogP-0.31
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 53
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-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-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

Related Compounds

N-(3-amino-3-hydroxyiminopropyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113224
N-(4-amino-4-hydroxyiminobutyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113223
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 77113193
2-[[2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]acetyl]amino]acetic acid
CID 66127823
N-(1-amino-1-hydroxyimino-2-methylpropan-2-yl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113147
N-[(4-carbamothioylphenyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66126547
[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]thiourea
CID 66120897
methyl 2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]propanoate
CID 66122439
N-[(2-aminocyclopentyl)methyl]-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66120497
N-(2-amino-2-hydroxyiminoethyl)-N-cyclopentyl-2-ethyl-5-methylpyrazole-3-carboxamide
CID 77113090
N-(3-amino-3-hydroxyiminopropyl)-2,5-dimethylpyrazole-3-carboxamide
CID 77112141
2-ethyl-N-(3-hydroxy-2-methylpropyl)-5-methylpyrazole-3-carboxamide
CID 66122042

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide (CID 77113156) is N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)NCC(N)=NO.
What is the InChIKey of N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is WDLJBYDFXHKWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-3-14-7(4-6(2)12-14)9(15)11-5-8(10)13-16/h4,16H,3,5H2,1-2H3,(H2,10,13)(H,11,15).
What are the key properties of N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide?
N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 225.25 g/mol, XLogP of -0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-hydroxyiminoethyl)-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 77113156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).