N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide

C7H12N4O — CID 126975543

IUPACN'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide
SMILESCOc1cc(/N=C(\C)N)nn1C
InChIInChI=1S/C7H12N4O/c1-5(8)9-6-4-7(12-3)11(2)10-6/h4H,1-3H3,(H2,8,9,10)
InChIKeyRRMKKDRMWXOMGT-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.44
Rot. Bonds2

About N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide

N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide (PubChem CID 126975543) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide.

Molecular Properties

Compound NameN'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide
PubChem CID126975543
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide
SMILESCOc1cc(/N=C(\C)N)nn1C
InChIInChI=1S/C7H12N4O/c1-5(8)9-6-4-7(12-3)11(2)10-6/h4H,1-3H3,(H2,8,9,10)
InChIKeyRRMKKDRMWXOMGT-UHFFFAOYSA-N
XLogP0.44
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.44
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'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide?
The IUPAC name of N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide (CID 126975543) is N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide.
What is the SMILES notation for N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide?
The canonical SMILES for N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide is COc1cc(/N=C(\C)N)nn1C.
What is the InChIKey of N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide?
The InChIKey is RRMKKDRMWXOMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-5(8)9-6-4-7(12-3)11(2)10-6/h4H,1-3H3,(H2,8,9,10).
What are the key properties of N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide?
N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide has a molecular weight of 168.20 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methoxy-1-methylpyrazol-3-yl)ethanimidamide is sourced from PubChem (CID 126975543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).