5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide

C11H21N5O — CID 55242716

IUPAC5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1OCCCN(C)C
InChIInChI=1S/C11H21N5O/c1-8-9(10(12)13)11(16(4)14-8)17-7-5-6-15(2)3/h5-7H2,1-4H3,(H3,12,13)
InChIKeyFPJIWNXHFICNMP-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.34
Rot. Bonds6

About 5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide

5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 55242716) has the molecular formula C11H21N5O and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID55242716
Molecular FormulaC11H21N5O
Molecular Weight239.32 g/mol
Exact Mass239.17
IUPAC Name5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1OCCCN(C)C
InChIInChI=1S/C11H21N5O/c1-8-9(10(12)13)11(16(4)14-8)17-7-5-6-15(2)3/h5-7H2,1-4H3,(H3,12,13)
InChIKeyFPJIWNXHFICNMP-UHFFFAOYSA-N
XLogP0.34
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide (CID 55242716) is 5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1OCCCN(C)C.
What is the InChIKey of 5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is FPJIWNXHFICNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O/c1-8-9(10(12)13)11(16(4)14-8)17-7-5-6-15(2)3/h5-7H2,1-4H3,(H3,12,13).
What are the key properties of 5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide?
5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 239.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propoxy]-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 55242716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).