4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide

C12H13ClN4O2 — CID 116801391

IUPAC4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
SMILESCCn1cc(Oc2cc(Cl)ccc2/C(N)=N/O)cn1
InChIInChI=1S/C12H13ClN4O2/c1-2-17-7-9(6-15-17)19-11-5-8(13)3-4-10(11)12(14)16-18/h3-7,18H,2H2,1H3,(H2,14,16)
InChIKeyPYMMGYANVOUDEE-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.44
Rot. Bonds4

About 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide

4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide (PubChem CID 116801391) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
PubChem CID116801391
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
SMILESCCn1cc(Oc2cc(Cl)ccc2/C(N)=N/O)cn1
InChIInChI=1S/C12H13ClN4O2/c1-2-17-7-9(6-15-17)19-11-5-8(13)3-4-10(11)12(14)16-18/h3-7,18H,2H2,1H3,(H2,14,16)
InChIKeyPYMMGYANVOUDEE-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
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'}

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Related Compounds

2-bromo-6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 114883564
5-chloro-N'-hydroxy-2-(1-propan-2-ylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801481
5-chloro-2-(1-propylpyrazol-4-yl)oxybenzenecarbothioamide
CID 116801331
5-bromo-N'-hydroxy-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 114892810
4-chloro-N'-hydroxy-2-(4-propan-2-ylphenoxy)benzenecarboximidamide
CID 76999572
2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 102724414
4-chloro-N'-hydroxy-2-(3-methylphenoxy)benzenecarboximidamide
CID 76984915
N-[[4-chloro-2-(1-ethylpyrazol-4-yl)oxyphenyl]methyl]propan-1-amine
CID 114857831
4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
CID 103174823
6-(1-ethylpyrazol-4-yl)oxy-N'-hydroxypyridine-2-carboximidamide
CID 136932336
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 116801422
4-amino-2-(1-ethylpyrazol-4-yl)oxy-N,N-dimethylbenzamide
CID 116800326

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide (CID 116801391) is 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide is CCn1cc(Oc2cc(Cl)ccc2/C(N)=N/O)cn1.
What is the InChIKey of 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide?
The InChIKey is PYMMGYANVOUDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-2-17-7-9(6-15-17)19-11-5-8(13)3-4-10(11)12(14)16-18/h3-7,18H,2H2,1H3,(H2,14,16).
What are the key properties of 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide?
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide has a molecular weight of 280.72 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 116801391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).