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

C13H16N4O — CID 81277289

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N/O)c(C)c2)n1
InChIInChI=1S/C13H16N4O/c1-8-6-11(4-5-12(8)13(14)16-18)17-10(3)7-9(2)15-17/h4-7,18H,1-3H3,(H2,14,16)
InChIKeyQPXDOIBFKKFMCG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.89
Rot. Bonds2

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

4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide (PubChem CID 81277289) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide
PubChem CID81277289
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N/O)c(C)c2)n1
InChIInChI=1S/C13H16N4O/c1-8-6-11(4-5-12(8)13(14)16-18)17-10(3)7-9(2)15-17/h4-7,18H,1-3H3,(H2,14,16)
InChIKeyQPXDOIBFKKFMCG-UHFFFAOYSA-N
XLogP1.89
TPSA76.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.89
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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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide (CID 81277289) is 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide is Cc1cc(C)n(-c2ccc(/C(N)=N/O)c(C)c2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide?
The InChIKey is QPXDOIBFKKFMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-6-11(4-5-12(8)13(14)16-18)17-10(3)7-9(2)15-17/h4-7,18H,1-3H3,(H2,14,16).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide?
4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide has a molecular weight of 244.30 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81277289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).