2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide

C7H11ClN4O — CID 104862063

IUPAC2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide
SMILESCc1nn(C)c(Cl)c1CC(N)=NO
InChIInChI=1S/C7H11ClN4O/c1-4-5(3-6(9)11-13)7(8)12(2)10-4/h13H,3H2,1-2H3,(H2,9,11)
InChIKeyABVUECXOTOEJHY-UHFFFAOYSA-N
MW202.65 g/mol
LogP0.67
Rot. Bonds2

About 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide

2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide (PubChem CID 104862063) has the molecular formula C7H11ClN4O and a molecular weight of 202.65 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide
PubChem CID104862063
Molecular FormulaC7H11ClN4O
Molecular Weight202.65 g/mol
Exact Mass202.06
IUPAC Name2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide
SMILESCc1nn(C)c(Cl)c1CC(N)=NO
InChIInChI=1S/C7H11ClN4O/c1-4-5(3-6(9)11-13)7(8)12(2)10-4/h13H,3H2,1-2H3,(H2,9,11)
InChIKeyABVUECXOTOEJHY-UHFFFAOYSA-N
XLogP0.67
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.65
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide 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-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 104862069
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)butan-2-one
CID 116550729
4-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)pentan-2-one
CID 116555894
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-one
CID 116592681
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 104862078
6-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)hexan-2-one
CID 116571972
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methyl-3-propan-2-ylpentan-2-one
CID 114281965
3-(aminomethyl)-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4-methylpentan-2-one
CID 116573924
3-amino-1-(5-chloro-1,3-dimethylpyrazol-4-yl)-4,4,4-trifluoro-3-methylbutan-2-one
CID 116592989
5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
CID 60796732
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-hydroxy-4,4-dimethylpentan-2-one
CID 103456367
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,5-dimethylphenyl)ethanone
CID 115799467

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide (CID 104862063) is 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide is Cc1nn(C)c(Cl)c1CC(N)=NO.
What is the InChIKey of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide?
The InChIKey is ABVUECXOTOEJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClN4O/c1-4-5(3-6(9)11-13)7(8)12(2)10-4/h13H,3H2,1-2H3,(H2,9,11).
What are the key properties of 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide?
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide has a molecular weight of 202.65 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 104862063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).