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

C14H11BrN4 — CID 80521103

IUPAC5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)cc2)c1-c1ccccn1
InChIInChI=1S/C14H11BrN4/c15-10-6-4-9(5-7-10)13-12(14(16)19-18-13)11-3-1-2-8-17-11/h1-8H,(H3,16,18,19)
InChIKeyJTESOZRVWJXWEG-UHFFFAOYSA-N
MW315.17 g/mol
LogP3.48
Rot. Bonds2

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

5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine (PubChem CID 80521103) has the molecular formula C14H11BrN4 and a molecular weight of 315.17 g/mol. Its IUPAC name is 5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
PubChem CID80521103
Molecular FormulaC14H11BrN4
Molecular Weight315.17 g/mol
Exact Mass314.02
IUPAC Name5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Br)cc2)c1-c1ccccn1
InChIInChI=1S/C14H11BrN4/c15-10-6-4-9(5-7-10)13-12(14(16)19-18-13)11-3-1-2-8-17-11/h1-8H,(H3,16,18,19)
InChIKeyJTESOZRVWJXWEG-UHFFFAOYSA-N
XLogP3.48
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.17
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine (CID 80521103) is 5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccc(Br)cc2)c1-c1ccccn1.
What is the InChIKey of 5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The InChIKey is JTESOZRVWJXWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4/c15-10-6-4-9(5-7-10)13-12(14(16)19-18-13)11-3-1-2-8-17-11/h1-8H,(H3,16,18,19).
What are the key properties of 5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine has a molecular weight of 315.17 g/mol, XLogP of 3.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-4-pyridin-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80521103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).