2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide

C13H15BrN4 — CID 62309017

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C13H15BrN4/c1-7-4-5-10(13(15)16)11(6-7)18-9(3)12(14)8(2)17-18/h4-6H,1-3H3,(H3,15,16)
InChIKeyOQAJFRYCHSVBAB-UHFFFAOYSA-N
MW307.20 g/mol
LogP2.84
Rot. Bonds2

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide (PubChem CID 62309017) has the molecular formula C13H15BrN4 and a molecular weight of 307.20 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide
PubChem CID62309017
Molecular FormulaC13H15BrN4
Molecular Weight307.20 g/mol
Exact Mass306.05
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C)cc1-n1nc(C)c(Br)c1C
InChIInChI=1S/C13H15BrN4/c1-7-4-5-10(13(15)16)11(6-7)18-9(3)12(14)8(2)17-18/h4-6H,1-3H3,(H3,15,16)
InChIKeyOQAJFRYCHSVBAB-UHFFFAOYSA-N
XLogP2.84
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.20
LogP ≤ 52.84
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 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide (CID 62309017) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C)cc1-n1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide?
The InChIKey is OQAJFRYCHSVBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-7-4-5-10(13(15)16)11(6-7)18-9(3)12(14)8(2)17-18/h4-6H,1-3H3,(H3,15,16).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide has a molecular weight of 307.20 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-4-methylbenzenecarboximidamide is sourced from PubChem (CID 62309017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).