3-tert-butyl-1-ethylpyrazole-4-carboximidamide

C10H18N4 — CID 83879057

IUPAC3-tert-butyl-1-ethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cn(CC)nc1C(C)(C)C
InChIInChI=1S/C10H18N4/c1-5-14-6-7(9(11)12)8(13-14)10(2,3)4/h6H,5H2,1-4H3,(H3,11,12)
InChIKeyVFRUAVQXEQVXMT-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.48
Rot. Bonds2

About 3-tert-butyl-1-ethylpyrazole-4-carboximidamide

3-tert-butyl-1-ethylpyrazole-4-carboximidamide (PubChem CID 83879057) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-tert-butyl-1-ethylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name3-tert-butyl-1-ethylpyrazole-4-carboximidamide
PubChem CID83879057
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name3-tert-butyl-1-ethylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cn(CC)nc1C(C)(C)C
InChIInChI=1S/C10H18N4/c1-5-14-6-7(9(11)12)8(13-14)10(2,3)4/h6H,5H2,1-4H3,(H3,11,12)
InChIKeyVFRUAVQXEQVXMT-UHFFFAOYSA-N
XLogP1.48
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-tert-butyl-1-ethylpyrazole-4-carboximidamide?
The IUPAC name of 3-tert-butyl-1-ethylpyrazole-4-carboximidamide (CID 83879057) is 3-tert-butyl-1-ethylpyrazole-4-carboximidamide.
What is the SMILES notation for 3-tert-butyl-1-ethylpyrazole-4-carboximidamide?
The canonical SMILES for 3-tert-butyl-1-ethylpyrazole-4-carboximidamide is [H]/N=C(\N)c1cn(CC)nc1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-1-ethylpyrazole-4-carboximidamide?
The InChIKey is VFRUAVQXEQVXMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-5-14-6-7(9(11)12)8(13-14)10(2,3)4/h6H,5H2,1-4H3,(H3,11,12).
What are the key properties of 3-tert-butyl-1-ethylpyrazole-4-carboximidamide?
3-tert-butyl-1-ethylpyrazole-4-carboximidamide has a molecular weight of 194.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-ethylpyrazole-4-carboximidamide is sourced from PubChem (CID 83879057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).