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

C11H19N5O — CID 79675684

IUPAC4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2cc(C)nn2C)CCO1
InChIInChI=1S/C11H19N5O/c1-8-5-9(15(2)14-8)6-16-3-4-17-10(7-16)11(12)13/h5,10H,3-4,6-7H2,1-2H3,(H3,12,13)
InChIKeyYKCMFCCXTDXYET-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.13
Rot. Bonds3

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

4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide (PubChem CID 79675684) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide.

Molecular Properties

Compound Name4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide
PubChem CID79675684
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide
SMILES[H]/N=C(\N)C1CN(Cc2cc(C)nn2C)CCO1
InChIInChI=1S/C11H19N5O/c1-8-5-9(15(2)14-8)6-16-3-4-17-10(7-16)11(12)13/h5,10H,3-4,6-7H2,1-2H3,(H3,12,13)
InChIKeyYKCMFCCXTDXYET-UHFFFAOYSA-N
XLogP-0.13
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide?
The IUPAC name of 4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide (CID 79675684) is 4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide.
What is the SMILES notation for 4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide?
The canonical SMILES for 4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide is [H]/N=C(\N)C1CN(Cc2cc(C)nn2C)CCO1.
What is the InChIKey of 4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide?
The InChIKey is YKCMFCCXTDXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-8-5-9(15(2)14-8)6-16-3-4-17-10(7-16)11(12)13/h5,10H,3-4,6-7H2,1-2H3,(H3,12,13).
What are the key properties of 4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide?
4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide has a molecular weight of 237.31 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethylpyrazol-3-yl)methyl]morpholine-2-carboximidamide is sourced from PubChem (CID 79675684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).