N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide

C11H19N5O — CID 120913510

IUPACN'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
SMILESCc1cc(C/N=C(\N)N2CCOCC2)n(C)n1
InChIInChI=1S/C11H19N5O/c1-9-7-10(15(2)14-9)8-13-11(12)16-3-5-17-6-4-16/h7H,3-6,8H2,1-2H3,(H2,12,13)
InChIKeyVUYMLHQIJMVWNE-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.12
Rot. Bonds2

About N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide

N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide (PubChem CID 120913510) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
PubChem CID120913510
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC NameN'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide
SMILESCc1cc(C/N=C(\N)N2CCOCC2)n(C)n1
InChIInChI=1S/C11H19N5O/c1-9-7-10(15(2)14-9)8-13-11(12)16-3-5-17-6-4-16/h7H,3-6,8H2,1-2H3,(H2,12,13)
InChIKeyVUYMLHQIJMVWNE-UHFFFAOYSA-N
XLogP-0.12
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.12
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'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide (CID 120913510) is N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide is Cc1cc(C/N=C(\N)N2CCOCC2)n(C)n1.
What is the InChIKey of N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide?
The InChIKey is VUYMLHQIJMVWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-9-7-10(15(2)14-9)8-13-11(12)16-3-5-17-6-4-16/h7H,3-6,8H2,1-2H3,(H2,12,13).
What are the key properties of N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide?
N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-4-carboximidamide is sourced from PubChem (CID 120913510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).