2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide

C12H13ClN4O2 — CID 102724449

IUPAC2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
SMILESCn1cc(COc2ccc(/C(N)=N/O)c(Cl)c2)cn1
InChIInChI=1S/C12H13ClN4O2/c1-17-6-8(5-15-17)7-19-9-2-3-10(11(13)4-9)12(14)16-18/h2-6,18H,7H2,1H3,(H2,14,16)
InChIKeyRBDFCLXUDYLUIN-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.75
Rot. Bonds4

About 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide

2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide (PubChem CID 102724449) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
PubChem CID102724449
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
SMILESCn1cc(COc2ccc(/C(N)=N/O)c(Cl)c2)cn1
InChIInChI=1S/C12H13ClN4O2/c1-17-6-8(5-15-17)7-19-9-2-3-10(11(13)4-9)12(14)16-18/h2-6,18H,7H2,1H3,(H2,14,16)
InChIKeyRBDFCLXUDYLUIN-UHFFFAOYSA-N
XLogP1.75
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.75
H-Bond Donors ≤ 52
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 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide 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

2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 102724414
2-chloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 102724273
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
2-chloro-N'-hydroxy-6-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 114323249
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
4-chloro-2-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 113277368
2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]benzoic acid
CID 107675415
1-[2-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]ethanone
CID 113232754
2-chloro-N'-hydroxy-4-(2-piperidin-1-ylethoxy)benzenecarboximidamide
CID 76981662
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide (CID 102724449) is 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide is Cn1cc(COc2ccc(/C(N)=N/O)c(Cl)c2)cn1.
What is the InChIKey of 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide?
The InChIKey is RBDFCLXUDYLUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-17-6-8(5-15-17)7-19-9-2-3-10(11(13)4-9)12(14)16-18/h2-6,18H,7H2,1H3,(H2,14,16).
What are the key properties of 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide?
2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide has a molecular weight of 280.72 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 102724449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).