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

C15H14BrN5 — CID 63884159

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-n2nc(C)c(Br)c2C)nc2ccccc12
InChIInChI=1S/C15H14BrN5/c1-8-14(16)9(2)21(20-8)13-7-11(15(17)18)10-5-3-4-6-12(10)19-13/h3-7H,1-2H3,(H3,17,18)
InChIKeyMXNUOKOYRXFHKP-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.08
Rot. Bonds2

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

2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide (PubChem CID 63884159) has the molecular formula C15H14BrN5 and a molecular weight of 344.22 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide
PubChem CID63884159
Molecular FormulaC15H14BrN5
Molecular Weight344.22 g/mol
Exact Mass343.04
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(-n2nc(C)c(Br)c2C)nc2ccccc12
InChIInChI=1S/C15H14BrN5/c1-8-14(16)9(2)21(20-8)13-7-11(15(17)18)10-5-3-4-6-12(10)19-13/h3-7H,1-2H3,(H3,17,18)
InChIKeyMXNUOKOYRXFHKP-UHFFFAOYSA-N
XLogP3.08
TPSA80.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.08
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 2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide (CID 63884159) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide is [H]/N=C(\N)c1cc(-n2nc(C)c(Br)c2C)nc2ccccc12.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide?
The InChIKey is MXNUOKOYRXFHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN5/c1-8-14(16)9(2)21(20-8)13-7-11(15(17)18)10-5-3-4-6-12(10)19-13/h3-7H,1-2H3,(H3,17,18).
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide has a molecular weight of 344.22 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinoline-4-carboximidamide is sourced from PubChem (CID 63884159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).