N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide

C14H18N4O2 — CID 81277838

IUPACN'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide
SMILESCc1cc(Oc2c(C)nn(C)c2C)ccc1/C(N)=N/O
InChIInChI=1S/C14H18N4O2/c1-8-7-11(5-6-12(8)14(15)17-19)20-13-9(2)16-18(4)10(13)3/h5-7,19H,1-4H3,(H2,15,17)
InChIKeyUIIWDQOSBJTMOL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.23
Rot. Bonds3

About N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide

N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide (PubChem CID 81277838) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide
PubChem CID81277838
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC NameN'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide
SMILESCc1cc(Oc2c(C)nn(C)c2C)ccc1/C(N)=N/O
InChIInChI=1S/C14H18N4O2/c1-8-7-11(5-6-12(8)14(15)17-19)20-13-9(2)16-18(4)10(13)3/h5-7,19H,1-4H3,(H2,15,17)
InChIKeyUIIWDQOSBJTMOL-UHFFFAOYSA-N
XLogP2.23
TPSA85.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide (CID 81277838) is N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide is Cc1cc(Oc2c(C)nn(C)c2C)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide?
The InChIKey is UIIWDQOSBJTMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-8-7-11(5-6-12(8)14(15)17-19)20-13-9(2)16-18(4)10(13)3/h5-7,19H,1-4H3,(H2,15,17).
What are the key properties of N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide?
N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide has a molecular weight of 274.32 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-4-(1,3,5-trimethylpyrazol-4-yl)oxybenzenecarboximidamide is sourced from PubChem (CID 81277838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).