2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide

C13H15ClN4O2 — CID 102724414

IUPAC2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCn1cc(COc2ccc(/C(N)=N/O)c(Cl)c2)cn1
InChIInChI=1S/C13H15ClN4O2/c1-2-18-7-9(6-16-18)8-20-10-3-4-11(12(14)5-10)13(15)17-19/h3-7,19H,2,8H2,1H3,(H2,15,17)
InChIKeyNJAMIXJCOZHIQX-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.23
Rot. Bonds5

About 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide

2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 102724414) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID102724414
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCn1cc(COc2ccc(/C(N)=N/O)c(Cl)c2)cn1
InChIInChI=1S/C13H15ClN4O2/c1-2-18-7-9(6-16-18)8-20-10-3-4-11(12(14)5-10)13(15)17-19/h3-7,19H,2,8H2,1H3,(H2,15,17)
InChIKeyNJAMIXJCOZHIQX-UHFFFAOYSA-N
XLogP2.23
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.23
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-chloro-N'-hydroxy-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarboximidamide
CID 102724449
[2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 102723760
2-chloro-N'-hydroxy-4-[(4-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76981512
4-[(4-chlorophenoxy)methyl]-1-ethylpyrazole
CID 64764542
2-chloro-N'-hydroxy-4-(thiophen-3-ylmethoxy)benzenecarboximidamide
CID 102724484
2-chloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenecarbothioamide
CID 102724273
2-chloro-N'-[4-[(1-ethylpyrazol-4-yl)methoxy]phenyl]ethanimidamide
CID 169367117
2-chloro-N'-hydroxy-4-(1,3-thiazol-5-ylmethoxy)benzenecarboximidamide
CID 102724377
4-chloro-2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxybenzenecarboximidamide
CID 116801391
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
[3-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanol
CID 62127102
4-[[3-(chloromethyl)phenoxy]methyl]-1-ethylpyrazole
CID 62127453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 102724414) is 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide is CCn1cc(COc2ccc(/C(N)=N/O)c(Cl)c2)cn1.
What is the InChIKey of 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is NJAMIXJCOZHIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-2-18-7-9(6-16-18)8-20-10-3-4-11(12(14)5-10)13(15)17-19/h3-7,19H,2,8H2,1H3,(H2,15,17).
What are the key properties of 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide?
2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 294.74 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 102724414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).