5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

C15H13BrN4 — CID 104853091

IUPAC5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCc1cc(Br)cc(-c2[nH]nc(N)c2-c2ccncc2)c1
InChIInChI=1S/C15H13BrN4/c1-9-6-11(8-12(16)7-9)14-13(15(17)20-19-14)10-2-4-18-5-3-10/h2-8H,1H3,(H3,17,19,20)
InChIKeyBFMFPWLLJZZTAE-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.79
Rot. Bonds2

About 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 104853091) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID104853091
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESCc1cc(Br)cc(-c2[nH]nc(N)c2-c2ccncc2)c1
InChIInChI=1S/C15H13BrN4/c1-9-6-11(8-12(16)7-9)14-13(15(17)20-19-14)10-2-4-18-5-3-10/h2-8H,1H3,(H3,17,19,20)
InChIKeyBFMFPWLLJZZTAE-UHFFFAOYSA-N
XLogP3.79
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dipyridin-4-yl-1H-pyrazol-3-amine
CID 80524588
5-(5-fluoro-2-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524488
5-(2-fluoro-4-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524485
4-pyridin-4-yl-5-pyrimidin-5-yl-1H-pyrazol-3-amine
CID 102921993
5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 107962702
4-(2-bromophenyl)-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 62831030
4-bromo-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 83913416
5-(3-bromo-2-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 107955203
5-(furan-3-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524633
5-(3-methylthiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524484
5-(3-bromo-5-chlorophenyl)-4-(3-bromophenyl)-1H-pyrazol-3-amine
CID 107955139
5-(3-bromothiophen-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524690

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 104853091) is 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is Cc1cc(Br)cc(-c2[nH]nc(N)c2-c2ccncc2)c1.
What is the InChIKey of 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is BFMFPWLLJZZTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-9-6-11(8-12(16)7-9)14-13(15(17)20-19-14)10-2-4-18-5-3-10/h2-8H,1H3,(H3,17,19,20).
What are the key properties of 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 329.20 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-methylphenyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 104853091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).