2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide

C15H20N4O — CID 76938898

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCCc1c(C)nn(-c2cc(C)ccc2C(N)=NO)c1C
InChIInChI=1S/C15H20N4O/c1-5-12-10(3)17-19(11(12)4)14-8-9(2)6-7-13(14)15(16)18-20/h6-8,20H,5H2,1-4H3,(H2,16,18)
InChIKeyKELXNKKDGWYZHI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.45
Rot. Bonds3

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide (PubChem CID 76938898) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
PubChem CID76938898
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
SMILESCCc1c(C)nn(-c2cc(C)ccc2C(N)=NO)c1C
InChIInChI=1S/C15H20N4O/c1-5-12-10(3)17-19(11(12)4)14-8-9(2)6-7-13(14)15(16)18-20/h6-8,20H,5H2,1-4H3,(H2,16,18)
InChIKeyKELXNKKDGWYZHI-UHFFFAOYSA-N
XLogP2.45
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 76981750
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxypyridine-3-carboximidamide
CID 61238154
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3,5-difluoro-N'-hydroxybenzenecarboximidamide
CID 81286051
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide
CID 61312649
1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethanone
CID 61237598
2-(azepan-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938994
N'-hydroxy-4-methyl-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 62308838
2-(diethylamino)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 76938914
4-chloro-2-(3,5-diethylpyrazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 82694324
ethyl 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzoate
CID 61311892
2-(4-chloropyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide
CID 62307108
4-bromo-2-(3,5-diethyl-1,2,4-triazol-1-yl)-N'-hydroxybenzenecarboximidamide
CID 114904187

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide (CID 76938898) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide is CCc1c(C)nn(-c2cc(C)ccc2C(N)=NO)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide?
The InChIKey is KELXNKKDGWYZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-5-12-10(3)17-19(11(12)4)14-8-9(2)6-7-13(14)15(16)18-20/h6-8,20H,5H2,1-4H3,(H2,16,18).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide has a molecular weight of 272.35 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N'-hydroxy-4-methylbenzenecarboximidamide is sourced from PubChem (CID 76938898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).