5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

C12H24N6O — CID 76951980

IUPAC5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(C)CCCN(C)C)c1C(N)=NO
InChIInChI=1S/C12H24N6O/c1-9-10(11(13)15-19)12(18(5)14-9)17(4)8-6-7-16(2)3/h19H,6-8H2,1-5H3,(H2,13,15)
InChIKeyHILFTUOHDBGQIX-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.21
Rot. Bonds6

About 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide

5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 76951980) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID76951980
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide
SMILESCc1nn(C)c(N(C)CCCN(C)C)c1C(N)=NO
InChIInChI=1S/C12H24N6O/c1-9-10(11(13)15-19)12(18(5)14-9)17(4)8-6-7-16(2)3/h19H,6-8H2,1-5H3,(H2,13,15)
InChIKeyHILFTUOHDBGQIX-UHFFFAOYSA-N
XLogP0.21
TPSA82.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide (CID 76951980) is 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is Cc1nn(C)c(N(C)CCCN(C)C)c1C(N)=NO.
What is the InChIKey of 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is HILFTUOHDBGQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-9-10(11(13)15-19)12(18(5)14-9)17(4)8-6-7-16(2)3/h19H,6-8H2,1-5H3,(H2,13,15).
What are the key properties of 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide?
5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 268.36 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)propyl-methylamino]-N'-hydroxy-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 76951980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).