5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

C12H21N5 — CID 55241171

IUPAC5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCCC1(C)C
InChIInChI=1S/C12H21N5/c1-8-9(10(13)14)11(16(4)15-8)17-7-5-6-12(17,2)3/h5-7H2,1-4H3,(H3,13,14)
InChIKeyHMZJJSNGPCCYTK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.39
Rot. Bonds2

About 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide

5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (PubChem CID 55241171) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
PubChem CID55241171
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1c(C)nn(C)c1N1CCCC1(C)C
InChIInChI=1S/C12H21N5/c1-8-9(10(13)14)11(16(4)15-8)17-7-5-6-12(17,2)3/h5-7H2,1-4H3,(H3,13,14)
InChIKeyHMZJJSNGPCCYTK-UHFFFAOYSA-N
XLogP1.39
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
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 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The IUPAC name of 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide (CID 55241171) is 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide.
What is the SMILES notation for 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The canonical SMILES for 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1c(C)nn(C)c1N1CCCC1(C)C.
What is the InChIKey of 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
The InChIKey is HMZJJSNGPCCYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-8-9(10(13)14)11(16(4)15-8)17-7-5-6-12(17,2)3/h5-7H2,1-4H3,(H3,13,14).
What are the key properties of 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide?
5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide has a molecular weight of 235.33 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpyrrolidin-1-yl)-1,3-dimethylpyrazole-4-carboximidamide is sourced from PubChem (CID 55241171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).