N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide

C7H11N5O2 — CID 102806911

IUPACN-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
SMILESCc1nn(C)cc1NC(=O)C(=O)NN
InChIInChI=1S/C7H11N5O2/c1-4-5(3-12(2)11-4)9-6(13)7(14)10-8/h3H,8H2,1-2H3,(H,9,13)(H,10,14)
InChIKeySWLNNSUESSEJNG-UHFFFAOYSA-N
MW197.20 g/mol
LogP-1.34
Rot. Bonds1

About N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide

N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide (PubChem CID 102806911) has the molecular formula C7H11N5O2 and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
PubChem CID102806911
Molecular FormulaC7H11N5O2
Molecular Weight197.20 g/mol
Exact Mass197.09
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide
SMILESCc1nn(C)cc1NC(=O)C(=O)NN
InChIInChI=1S/C7H11N5O2/c1-4-5(3-12(2)11-4)9-6(13)7(14)10-8/h3H,8H2,1-2H3,(H,9,13)(H,10,14)
InChIKeySWLNNSUESSEJNG-UHFFFAOYSA-N
XLogP-1.34
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(1,3-dimethylpyrazol-4-yl)thiourea
CID 102806211
N-(cyanomethyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
CID 102805642
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672
2-amino-N-(1,3-dimethylpyrazol-4-yl)-3-methylbutanamide
CID 103796990
N-(4,4-dimethylpentyl)-N'-(1,3-dimethylpyrazol-4-yl)oxamide
CID 71846896
N-(1,3-dimethylpyrazol-4-yl)-4-oxopentanamide
CID 102805637
(2S)-2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methylpentanamide
CID 103811522
N-(1,3-dimethylpyrazol-4-yl)-2-(propylamino)acetamide
CID 102805551
1-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)-3-methylcyclobutane-1-carboxamide
CID 102804722
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 104872498
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
N-(1,3-dimethylpyrazol-4-yl)imidazole-1-carboxamide
CID 102807490

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide (CID 102806911) is N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide is Cc1nn(C)cc1NC(=O)C(=O)NN.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide?
The InChIKey is SWLNNSUESSEJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O2/c1-4-5(3-12(2)11-4)9-6(13)7(14)10-8/h3H,8H2,1-2H3,(H,9,13)(H,10,14).
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide?
N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide has a molecular weight of 197.20 g/mol, XLogP of -1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-2-hydrazinyl-2-oxoacetamide is sourced from PubChem (CID 102806911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).