3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide

C11H10F2N4O — CID 81342133

IUPAC3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2cc(C)[nH]n2)c(F)c1
InChIInChI=1S/C11H10F2N4O/c1-5-2-9(17-16-5)18-10-7(12)3-6(11(14)15)4-8(10)13/h2-4H,1H3,(H3,14,15)(H,16,17)
InChIKeyXLZZNAJLYSOTQF-UHFFFAOYSA-N
MW252.22 g/mol
LogP2.07
Rot. Bonds3

About 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide

3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide (PubChem CID 81342133) has the molecular formula C11H10F2N4O and a molecular weight of 252.22 g/mol. Its IUPAC name is 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide.

Molecular Properties

Compound Name3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
PubChem CID81342133
Molecular FormulaC11H10F2N4O
Molecular Weight252.22 g/mol
Exact Mass252.08
IUPAC Name3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)c(Oc2cc(C)[nH]n2)c(F)c1
InChIInChI=1S/C11H10F2N4O/c1-5-2-9(17-16-5)18-10-7(12)3-6(11(14)15)4-8(10)13/h2-4H,1H3,(H3,14,15)(H,16,17)
InChIKeyXLZZNAJLYSOTQF-UHFFFAOYSA-N
XLogP2.07
TPSA87.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

5-bromo-2-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide
CID 114893362
4-(4-chlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293743
4-(4-bromo-2-methylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293478
3,5-difluoro-4-pyridin-3-yloxybenzenecarboximidamide
CID 81293654
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
4-[(5-bromo-3-pyridinyl)oxy]-3,5-difluorobenzenecarboximidamide
CID 81293284
4-(2-ethylphenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293862
4-(4-chloro-3-fluorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 82717295
4-(2,5-dichlorophenoxy)-3,5-difluorobenzenecarboximidamide
CID 81293557
2-(3,5-difluorophenoxy)-6-methylpyridine-4-carboximidamide
CID 114769335
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107709002
3,5-difluoro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 81293390

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
The IUPAC name of 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide (CID 81342133) is 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide.
What is the SMILES notation for 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
The canonical SMILES for 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide is [H]/N=C(\N)c1cc(F)c(Oc2cc(C)[nH]n2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
The InChIKey is XLZZNAJLYSOTQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4O/c1-5-2-9(17-16-5)18-10-7(12)3-6(11(14)15)4-8(10)13/h2-4H,1H3,(H3,14,15)(H,16,17).
What are the key properties of 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide?
3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide has a molecular weight of 252.22 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[(5-methyl-1H-pyrazol-3-yl)oxy]benzenecarboximidamide is sourced from PubChem (CID 81342133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).