4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine

C15H13BrN4 — CID 43560795

IUPAC4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cccnc2)c(-c2cccc(Br)c2)c1N
InChIInChI=1S/C15H13BrN4/c1-20-15(17)13(10-4-2-6-12(16)8-10)14(19-20)11-5-3-7-18-9-11/h2-9H,17H2,1H3
InChIKeyIKOQAUZTMXEUGA-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.49
Rot. Bonds2

About 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine

4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine (PubChem CID 43560795) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
PubChem CID43560795
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2cccnc2)c(-c2cccc(Br)c2)c1N
InChIInChI=1S/C15H13BrN4/c1-20-15(17)13(10-4-2-6-12(16)8-10)14(19-20)11-5-3-7-18-9-11/h2-9H,17H2,1H3
InChIKeyIKOQAUZTMXEUGA-UHFFFAOYSA-N
XLogP3.49
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromophenyl)-1-methyl-3-pyrimidin-5-ylpyrazol-5-amine
CID 102921955
3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80523124
4-(3-bromophenyl)-3-(5-fluoro-3-pyridinyl)-1-methylpyrazol-5-amine
CID 104785963
3-(3-bromophenyl)-4-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43158704
4-(3-bromophenyl)-3-(3-fluorophenyl)-1-methylpyrazol-5-amine
CID 43560827
3-(3-bromophenyl)-4-(4-fluorophenyl)-1-methylpyrazol-5-amine
CID 43336493
1-methyl-4-pyridin-2-yl-3-pyridin-3-ylpyrazol-5-amine
CID 80521128
4-(3-bromophenyl)-3-(2-iodophenyl)-1-methylpyrazol-5-amine
CID 43560840
3-(2-bromo-5-fluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522775
3-(2,3-difluorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522283
1-methyl-3-(2-methyl-3-pyridinyl)-4-pyridin-3-ylpyrazol-5-amine
CID 80522938
3-(2,5-dichlorophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
CID 80522471

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine (CID 43560795) is 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine is Cn1nc(-c2cccnc2)c(-c2cccc(Br)c2)c1N.
What is the InChIKey of 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine?
The InChIKey is IKOQAUZTMXEUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-20-15(17)13(10-4-2-6-12(16)8-10)14(19-20)11-5-3-7-18-9-11/h2-9H,17H2,1H3.
What are the key properties of 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine?
4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine has a molecular weight of 329.20 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1-methyl-3-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 43560795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).