5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide

C11H19N5O2 — CID 81203422

IUPAC5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCOC(CO)C1
InChIInChI=1S/C11H19N5O2/c1-7-9(10(12)13)11(15(2)14-7)16-3-4-18-8(5-16)6-17/h8,17H,3-6H2,1-2H3,(H3,12,13)
InChIKeyXSGGALHXSHWQIX-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.79
Rot. Bonds3

About 5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide

5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 81203422) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID81203422
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCOC(CO)C1
InChIInChI=1S/C11H19N5O2/c1-7-9(10(12)13)11(15(2)14-7)16-3-4-18-8(5-16)6-17/h8,17H,3-6H2,1-2H3,(H3,12,13)
InChIKeyXSGGALHXSHWQIX-UHFFFAOYSA-N
XLogP-0.79
TPSA100.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide (CID 81203422) is 5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N1CCOC(CO)C1.
What is the InChIKey of 5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is XSGGALHXSHWQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-7-9(10(12)13)11(15(2)14-7)16-3-4-18-8(5-16)6-17/h8,17H,3-6H2,1-2H3,(H3,12,13).
What are the key properties of 5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide?
5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 253.31 g/mol, XLogP of -0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)morpholin-4-yl]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 81203422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).