3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide

C8H13N5O2 — CID 76925346

IUPAC3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
SMILESCC(C(=O)Nc1cnn(C)c1)C(N)=NO
InChIInChI=1S/C8H13N5O2/c1-5(7(9)12-15)8(14)11-6-3-10-13(2)4-6/h3-5,15H,1-2H3,(H2,9,12)(H,11,14)
InChIKeyVKBQEKWSBTYFSA-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.26
Rot. Bonds3

About 3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide

3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide (PubChem CID 76925346) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
PubChem CID76925346
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide
SMILESCC(C(=O)Nc1cnn(C)c1)C(N)=NO
InChIInChI=1S/C8H13N5O2/c1-5(7(9)12-15)8(14)11-6-3-10-13(2)4-6/h3-5,15H,1-2H3,(H2,9,12)(H,11,14)
InChIKeyVKBQEKWSBTYFSA-UHFFFAOYSA-N
XLogP-0.26
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.26
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'}

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Related Compounds

2-(N'-hydroxycarbamimidoyl)-N-(1-methylpyrazol-4-yl)butanamide
CID 76925347
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
(2R)-2-amino-4-methyl-N-(1-methylpyrazol-4-yl)pentanamide
CID 93104460
3-amino-3-hydroxyimino-2-methyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)propanamide
CID 76925740
3-amino-N-(4-tert-butylphenyl)-3-hydroxyimino-2-methylpropanamide
CID 76926765
N-(1-methylpyrazol-4-yl)-2-pyrazol-1-ylpropanamide
CID 47187700
2-(N'-hydroxycarbamimidoyl)-N-[1-(2-methoxyethyl)pyrazol-4-yl]-3-methylbutanamide
CID 76926717
N-carbamoyl-2-[(1-methylpyrazol-4-yl)amino]propanamide
CID 79778444
2-butyl-N-(1-methylpyrazol-4-yl)hexanamide
CID 139359487
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(1-methylpyrazol-4-yl)propanamide
CID 61156101
3-amino-3-hydroxyimino-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 76925190
3-amino-2-methyl-N-(1-propan-2-ylpyrazol-4-yl)-3-sulfanylidenepropanamide
CID 62904276

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of 3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide (CID 76925346) is 3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide is CC(C(=O)Nc1cnn(C)c1)C(N)=NO.
What is the InChIKey of 3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is VKBQEKWSBTYFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c1-5(7(9)12-15)8(14)11-6-3-10-13(2)4-6/h3-5,15H,1-2H3,(H2,9,12)(H,11,14).
What are the key properties of 3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide?
3-amino-3-hydroxyimino-2-methyl-N-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 211.22 g/mol, XLogP of -0.26, 3 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-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 76925346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).