3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide

C9H15N5O2 — CID 76989094

IUPAC3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccnn1C)C(N)=NO
InChIInChI=1S/C9H15N5O2/c1-6(8(10)13-16)9(15)11-5-7-3-4-12-14(7)2/h3-4,6,16H,5H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyFWBZKYQUJBCLAC-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.58
Rot. Bonds4

About 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide

3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide (PubChem CID 76989094) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
PubChem CID76989094
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide
SMILESCC(C(=O)NCc1ccnn1C)C(N)=NO
InChIInChI=1S/C9H15N5O2/c1-6(8(10)13-16)9(15)11-5-7-3-4-12-14(7)2/h3-4,6,16H,5H2,1-2H3,(H2,10,13)(H,11,15)
InChIKeyFWBZKYQUJBCLAC-UHFFFAOYSA-N
XLogP-0.58
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 ≤ 5-0.58
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 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide 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

3-amino-3-hydroxyimino-2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propanamide
CID 103010114
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-(N'-hydroxycarbamimidoyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]pentanamide
CID 103010119
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
2-(azetidin-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 116677866
3-amino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119727678
3-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-hydroxyimino-2-methylpropanamide
CID 113358295
2-amino-4-methoxy-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302394
2-(N'-hydroxycarbamimidoyl)-N-[(2-methylpyrazol-3-yl)methyl]-2-propylpentanamide
CID 76989091
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide (CID 76989094) is 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide is CC(C(=O)NCc1ccnn1C)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
The InChIKey is FWBZKYQUJBCLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-6(8(10)13-16)9(15)11-5-7-3-4-12-14(7)2/h3-4,6,16H,5H2,1-2H3,(H2,10,13)(H,11,15).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide?
3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide has a molecular weight of 225.25 g/mol, XLogP of -0.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-hydroxyimino-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]propanamide is sourced from PubChem (CID 76989094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).