2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide

C14H17ClN4O2 — CID 87545103

IUPAC2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide
SMILESCc1nn(C)c(Oc2cc(C/C(N)=N/O)ccc2Cl)c1C
InChIInChI=1S/C14H17ClN4O2/c1-8-9(2)17-19(3)14(8)21-12-6-10(4-5-11(12)15)7-13(16)18-20/h4-6,20H,7H2,1-3H3,(H2,16,18)
InChIKeyNAKHGJUKJPSIQB-UHFFFAOYSA-N
MW308.77 g/mol
LogP2.77
Rot. Bonds4

About 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide

2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide (PubChem CID 87545103) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide
PubChem CID87545103
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide
SMILESCc1nn(C)c(Oc2cc(C/C(N)=N/O)ccc2Cl)c1C
InChIInChI=1S/C14H17ClN4O2/c1-8-9(2)17-19(3)14(8)21-12-6-10(4-5-11(12)15)7-13(16)18-20/h4-6,20H,7H2,1-3H3,(H2,16,18)
InChIKeyNAKHGJUKJPSIQB-UHFFFAOYSA-N
XLogP2.77
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.77
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

3-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-2-methylprop-2-enoic acid
CID 68712146
5-(2-chloro-5-fluorophenoxy)-1,3-dimethylpyrazol-4-amine
CID 114264208
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N'-hydroxyethanimidamide
CID 104862063
(2S)-2-[4-chloro-2-(hydroxymethyl)-5-(2,4,5-trimethylpyrazol-3-yl)oxyphenoxy]propanoic acid
CID 68709337
methyl (2S)-2-[2-chloro-4-ethyl-5-(2,4,5-trimethylpyrazol-3-yl)oxyphenoxy]propanoate
CID 91457448
5-(2,3-dichlorophenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76951926
5-[2-chloro-5-(methoxymethoxy)-4-(phenoxymethyl)phenoxy]-1,3,4-trimethylpyrazole
CID 68709463
5-(2,5-dimethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952252
5-(2-chloro-4-methylphenoxy)-1,3-dimethylpyrazole-4-carbothioamide
CID 55243667
5-(4-ethylphenoxy)-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
CID 76952346
4-(chloromethyl)-1,3-dimethyl-5-(2,4,5-trichlorophenoxy)pyrazole
CID 28964659
2-[3-chloro-4-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]benzoic acid
CID 68712683

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide (CID 87545103) is 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide is Cc1nn(C)c(Oc2cc(C/C(N)=N/O)ccc2Cl)c1C.
What is the InChIKey of 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide?
The InChIKey is NAKHGJUKJPSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-8-9(2)17-19(3)14(8)21-12-6-10(4-5-11(12)15)7-13(16)18-20/h4-6,20H,7H2,1-3H3,(H2,16,18).
What are the key properties of 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide?
2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide has a molecular weight of 308.77 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(2,4,5-trimethylpyrazol-3-yl)oxyphenyl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 87545103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).