4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide

C14H17ClN4O2 — CID 114323401

IUPAC4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCn1nc(C)cc1COc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C14H17ClN4O2/c1-3-19-11(6-9(2)17-19)8-21-13-7-10(15)4-5-12(13)14(16)18-20/h4-7,20H,3,8H2,1-2H3,(H2,16,18)
InChIKeyWIWVDAVFGQFWTL-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.54
Rot. Bonds5

About 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide

4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide (PubChem CID 114323401) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
PubChem CID114323401
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide
SMILESCCn1nc(C)cc1COc1cc(Cl)ccc1/C(N)=N/O
InChIInChI=1S/C14H17ClN4O2/c1-3-19-11(6-9(2)17-19)8-21-13-7-10(15)4-5-12(13)14(16)18-20/h4-7,20H,3,8H2,1-2H3,(H2,16,18)
InChIKeyWIWVDAVFGQFWTL-UHFFFAOYSA-N
XLogP2.54
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.54
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

4-chloro-2-[(1,3-diethylpyrazol-5-yl)methoxy]benzenecarboximidamide
CID 114323567
4-chloro-N'-hydroxy-2-(methoxymethoxy)benzenecarboximidamide
CID 114323364
4-chloro-N'-hydroxy-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzenecarboximidamide
CID 114323384
4-chloro-2-[(2,6-dichlorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114323357
4-chloro-N'-hydroxy-2-[(3-methoxyphenyl)methoxy]benzenecarboximidamide
CID 76984860
1-[2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-4-methoxyphenyl]ethanone
CID 82003080
4-chloro-2-[(2,6-difluorophenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 114930346
4-chloro-N'-hydroxy-2-(2-propoxyethoxy)benzenecarboximidamide
CID 55233057
2-[(4-bromophenyl)methoxy]-4-chloro-N'-hydroxybenzenecarboximidamide
CID 114323375
4-chloro-N'-hydroxy-2-[(3-hydroxyphenyl)methoxy]benzenecarboximidamide
CID 114323334
4-chloro-2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-N'-hydroxybenzenecarboximidamide
CID 103174823
4-chloro-N'-hydroxy-2-(3-methylbutoxy)benzenecarboximidamide
CID 76984720

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide (CID 114323401) is 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide is CCn1nc(C)cc1COc1cc(Cl)ccc1/C(N)=N/O.
What is the InChIKey of 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide?
The InChIKey is WIWVDAVFGQFWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-3-19-11(6-9(2)17-19)8-21-13-7-10(15)4-5-12(13)14(16)18-20/h4-7,20H,3,8H2,1-2H3,(H2,16,18).
What are the key properties of 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide?
4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide has a molecular weight of 308.77 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)methoxy]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114323401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).