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

C15H13BrN4 — CID 80523124

IUPAC3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)cc2)c(-c2cccnc2)c1N
InChIInChI=1S/C15H13BrN4/c1-20-15(17)13(11-3-2-8-18-9-11)14(19-20)10-4-6-12(16)7-5-10/h2-9H,17H2,1H3
InChIKeyZKVGWGWLCPPWLP-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.49
Rot. Bonds2

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

3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (PubChem CID 80523124) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
PubChem CID80523124
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine
SMILESCn1nc(-c2ccc(Br)cc2)c(-c2cccnc2)c1N
InChIInChI=1S/C15H13BrN4/c1-20-15(17)13(11-3-2-8-18-9-11)14(19-20)10-4-6-12(16)7-5-10/h2-9H,17H2,1H3
InChIKeyZKVGWGWLCPPWLP-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The IUPAC name of 3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine (CID 80523124) is 3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine.
What is the SMILES notation for 3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The canonical SMILES for 3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is Cn1nc(-c2ccc(Br)cc2)c(-c2cccnc2)c1N.
What is the InChIKey of 3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
The InChIKey is ZKVGWGWLCPPWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-20-15(17)13(11-3-2-8-18-9-11)14(19-20)10-4-6-12(16)7-5-10/h2-9H,17H2,1H3.
What are the key properties of 3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine?
3-(4-bromophenyl)-1-methyl-4-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 3-(4-bromophenyl)-1-methyl-4-pyridin-3-ylpyrazol-5-amine is sourced from PubChem (CID 80523124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).