4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide

C16H22N4O — CID 61299238

IUPAC4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCn2nc(C)c(CC)c2C)cc1
InChIInChI=1S/C16H22N4O/c1-4-15-11(2)19-20(12(15)3)9-10-21-14-7-5-13(6-8-14)16(17)18/h5-8H,4,9-10H2,1-3H3,(H3,17,18)
InChIKeyTWPUZAIQTFKFHJ-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.43
Rot. Bonds6

About 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide

4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide (PubChem CID 61299238) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
PubChem CID61299238
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCn2nc(C)c(CC)c2C)cc1
InChIInChI=1S/C16H22N4O/c1-4-15-11(2)19-20(12(15)3)9-10-21-14-7-5-13(6-8-14)16(17)18/h5-8H,4,9-10H2,1-3H3,(H3,17,18)
InChIKeyTWPUZAIQTFKFHJ-UHFFFAOYSA-N
XLogP2.43
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.43
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'}

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Related Compounds

4-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide
CID 62129186
4-butoxybenzenecarboximidamide
CID 3015454
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarboximidamide
CID 114483656
4-octoxybenzenecarboximidamide
CID 3302492
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[2-(3-methoxyphenoxy)ethoxy]benzenecarboximidamide
CID 61299239
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)pyridine-4-carboximidamide
CID 61236499
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
ethyl 4-(4-carbamimidoylphenoxy)butanoate
CID 23371394

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide (CID 61299238) is 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCn2nc(C)c(CC)c2C)cc1.
What is the InChIKey of 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide?
The InChIKey is TWPUZAIQTFKFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-4-15-11(2)19-20(12(15)3)9-10-21-14-7-5-13(6-8-14)16(17)18/h5-8H,4,9-10H2,1-3H3,(H3,17,18).
What are the key properties of 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide?
4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide has a molecular weight of 286.38 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61299238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).