5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine

C15H13BrN4O — CID 115369369

IUPAC5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESCOc1cc(Br)ccc1-c1[nH]nc(N)c1-c1ccccn1
InChIInChI=1S/C15H13BrN4O/c1-21-12-8-9(16)5-6-10(12)14-13(15(17)20-19-14)11-4-2-3-7-18-11/h2-8H,1H3,(H3,17,19,20)
InChIKeyIRZNCPQNGUFFSH-UHFFFAOYSA-N
MW345.20 g/mol
LogP3.49
Rot. Bonds3

About 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine

5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine (PubChem CID 115369369) has the molecular formula C15H13BrN4O and a molecular weight of 345.20 g/mol. Its IUPAC name is 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
PubChem CID115369369
Molecular FormulaC15H13BrN4O
Molecular Weight345.20 g/mol
Exact Mass344.03
IUPAC Name5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESCOc1cc(Br)ccc1-c1[nH]nc(N)c1-c1ccccn1
InChIInChI=1S/C15H13BrN4O/c1-21-12-8-9(16)5-6-10(12)14-13(15(17)20-19-14)11-4-2-3-7-18-11/h2-8H,1H3,(H3,17,19,20)
InChIKeyIRZNCPQNGUFFSH-UHFFFAOYSA-N
XLogP3.49
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 115370348
5-(5-bromo-2-fluorophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521302
5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521103
5-(2-methylphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521126
5-(2-methyl-3-pyridinyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521275
5-(5-bromo-4-methylthiophen-2-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521102
5-(2,4-dibromophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 107955079
5-(2,5-dibromothiophen-3-yl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 107962588
5-(3-fluoro-4-pyridinyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521210
5-(5-methylfuran-3-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 114821119
6-(4-fluoro-2-methoxyphenyl)-2-methyl-5-pyridin-2-ylpyrimidin-4-amine
CID 90159712
5-(4-chloro-2-methoxyphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521231

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine (CID 115369369) is 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine is COc1cc(Br)ccc1-c1[nH]nc(N)c1-c1ccccn1.
What is the InChIKey of 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The InChIKey is IRZNCPQNGUFFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O/c1-21-12-8-9(16)5-6-10(12)14-13(15(17)20-19-14)11-4-2-3-7-18-11/h2-8H,1H3,(H3,17,19,20).
What are the key properties of 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine has a molecular weight of 345.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-methoxyphenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 115369369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).