5-methoxy-3-methylpyrazole-1-carboximidamide

C6H10N4O — CID 19382656

IUPAC5-methoxy-3-methylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1nc(C)cc1OC
InChIInChI=1S/C6H10N4O/c1-4-3-5(11-2)10(9-4)6(7)8/h3H,1-2H3,(H3,7,8)
InChIKeyCANWRXUHXKFPCB-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.06
Rot. Bonds1

About 5-methoxy-3-methylpyrazole-1-carboximidamide

5-methoxy-3-methylpyrazole-1-carboximidamide (PubChem CID 19382656) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-methoxy-3-methylpyrazole-1-carboximidamide.

Molecular Properties

Compound Name5-methoxy-3-methylpyrazole-1-carboximidamide
PubChem CID19382656
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-methoxy-3-methylpyrazole-1-carboximidamide
SMILES[H]/N=C(\N)n1nc(C)cc1OC
InChIInChI=1S/C6H10N4O/c1-4-3-5(11-2)10(9-4)6(7)8/h3H,1-2H3,(H3,7,8)
InChIKeyCANWRXUHXKFPCB-UHFFFAOYSA-N
XLogP-0.06
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.06
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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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-methylpyrazole-1-carboximidamide?
The IUPAC name of 5-methoxy-3-methylpyrazole-1-carboximidamide (CID 19382656) is 5-methoxy-3-methylpyrazole-1-carboximidamide.
What is the SMILES notation for 5-methoxy-3-methylpyrazole-1-carboximidamide?
The canonical SMILES for 5-methoxy-3-methylpyrazole-1-carboximidamide is [H]/N=C(\N)n1nc(C)cc1OC.
What is the InChIKey of 5-methoxy-3-methylpyrazole-1-carboximidamide?
The InChIKey is CANWRXUHXKFPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-4-3-5(11-2)10(9-4)6(7)8/h3H,1-2H3,(H3,7,8).
What are the key properties of 5-methoxy-3-methylpyrazole-1-carboximidamide?
5-methoxy-3-methylpyrazole-1-carboximidamide has a molecular weight of 154.17 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-methylpyrazole-1-carboximidamide is sourced from PubChem (CID 19382656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).