1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide

C13H16N4O — CID 60525093

IUPAC1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide
SMILESCc1cccc(CO/N=C(/N)c2cnn(C)c2)c1
InChIInChI=1S/C13H16N4O/c1-10-4-3-5-11(6-10)9-18-16-13(14)12-7-15-17(2)8-12/h3-8H,9H2,1-2H3,(H2,14,16)
InChIKeyXJSULCGPWZJKNH-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.57
Rot. Bonds4

About 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide

1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide (PubChem CID 60525093) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide.

Molecular Properties

Compound Name1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide
PubChem CID60525093
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide
SMILESCc1cccc(CO/N=C(/N)c2cnn(C)c2)c1
InChIInChI=1S/C13H16N4O/c1-10-4-3-5-11(6-10)9-18-16-13(14)12-7-15-17(2)8-12/h3-8H,9H2,1-2H3,(H2,14,16)
InChIKeyXJSULCGPWZJKNH-UHFFFAOYSA-N
XLogP1.57
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.57
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide?
The IUPAC name of 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide (CID 60525093) is 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide.
What is the SMILES notation for 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide?
The canonical SMILES for 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide is Cc1cccc(CO/N=C(/N)c2cnn(C)c2)c1.
What is the InChIKey of 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide?
The InChIKey is XJSULCGPWZJKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-4-3-5-11(6-10)9-18-16-13(14)12-7-15-17(2)8-12/h3-8H,9H2,1-2H3,(H2,14,16).
What are the key properties of 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide?
1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide has a molecular weight of 244.30 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[(3-methylphenyl)methoxy]pyrazole-4-carboximidamide is sourced from PubChem (CID 60525093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).