2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine

C15H16BrN5 — CID 63816426

IUPAC2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine
SMILESCc1nn(-c2ccccc2)c(-n2cc(Br)cn2)c1CCN
InChIInChI=1S/C15H16BrN5/c1-11-14(7-8-17)15(20-10-12(16)9-18-20)21(19-11)13-5-3-2-4-6-13/h2-6,9-10H,7-8,17H2,1H3
InChIKeyXAEVFBGNPVIAQL-UHFFFAOYSA-N
MW346.23 g/mol
LogP2.63
Rot. Bonds4

About 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine

2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine (PubChem CID 63816426) has the molecular formula C15H16BrN5 and a molecular weight of 346.23 g/mol. Its IUPAC name is 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine
PubChem CID63816426
Molecular FormulaC15H16BrN5
Molecular Weight346.23 g/mol
Exact Mass345.06
IUPAC Name2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine
SMILESCc1nn(-c2ccccc2)c(-n2cc(Br)cn2)c1CCN
InChIInChI=1S/C15H16BrN5/c1-11-14(7-8-17)15(20-10-12(16)9-18-20)21(19-11)13-5-3-2-4-6-13/h2-6,9-10H,7-8,17H2,1H3
InChIKeyXAEVFBGNPVIAQL-UHFFFAOYSA-N
XLogP2.63
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine?
The IUPAC name of 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine (CID 63816426) is 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine is Cc1nn(-c2ccccc2)c(-n2cc(Br)cn2)c1CCN.
What is the InChIKey of 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine?
The InChIKey is XAEVFBGNPVIAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN5/c1-11-14(7-8-17)15(20-10-12(16)9-18-20)21(19-11)13-5-3-2-4-6-13/h2-6,9-10H,7-8,17H2,1H3.
What are the key properties of 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine?
2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine has a molecular weight of 346.23 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromopyrazol-1-yl)-3-methyl-1-phenylpyrazol-4-yl]ethanamine is sourced from PubChem (CID 63816426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).