(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide

C9H15N5O2 — CID 109374296

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1cccn1)NC(=O)C/C(N)=N/O
InChIInChI=1S/C9H15N5O2/c1-7(6-14-4-2-3-11-14)12-9(15)5-8(10)13-16/h2-4,7,16H,5-6H2,1H3,(H2,10,13)(H,12,15)
InChIKeyZWANBYMTBPPYFN-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.48
Rot. Bonds5

About (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide (PubChem CID 109374296) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
PubChem CID109374296
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1cccn1)NC(=O)C/C(N)=N/O
InChIInChI=1S/C9H15N5O2/c1-7(6-14-4-2-3-11-14)12-9(15)5-8(10)13-16/h2-4,7,16H,5-6H2,1H3,(H2,10,13)(H,12,15)
InChIKeyZWANBYMTBPPYFN-UHFFFAOYSA-N
XLogP-0.48
TPSA105.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.48
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

N-carbamoyl-2-(1-pyrazol-1-ylpropan-2-ylamino)acetamide
CID 61462815
1,1-diethyl-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 115583841
1-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 65463788
2-bromo-N-(1-pyrazol-1-ylpropan-2-yl)butanamide
CID 62854654
2-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]acetamide
CID 95850226
N-[(2R)-1-pyrazol-1-ylpropan-2-yl]azetidine-1-carboxamide
CID 94031085
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
2-amino-N-(1-pyrazol-1-ylpropan-2-yl)cyclopentane-1-carboxamide
CID 64824492
5-amino-N-(1-pyrazol-1-ylpropan-2-yl)-1,3,4-thiadiazole-2-carboxamide
CID 80617127
2-(1-pyrazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54951710
3-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784341
3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610317

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide (CID 109374296) is (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide is CC(Cn1cccn1)NC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
The InChIKey is ZWANBYMTBPPYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-7(6-14-4-2-3-11-14)12-9(15)5-8(10)13-16/h2-4,7,16H,5-6H2,1H3,(H2,10,13)(H,12,15).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide has a molecular weight of 225.25 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(1-pyrazol-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 109374296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).