5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline

C12H12BrN3 — CID 62492936

IUPAC5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline
SMILESNc1cc(Br)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H12BrN3/c13-9-3-4-12(10(14)7-9)16-6-5-11(15-16)8-1-2-8/h3-8H,1-2,14H2
InChIKeyWGSYPZUKLSAJKY-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.09
Rot. Bonds2

About 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline

5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline (PubChem CID 62492936) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline
PubChem CID62492936
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline
SMILESNc1cc(Br)ccc1-n1ccc(C2CC2)n1
InChIInChI=1S/C12H12BrN3/c13-9-3-4-12(10(14)7-9)16-6-5-11(15-16)8-1-2-8/h3-8H,1-2,14H2
InChIKeyWGSYPZUKLSAJKY-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline?
The IUPAC name of 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline (CID 62492936) is 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline.
What is the SMILES notation for 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline?
The canonical SMILES for 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline is Nc1cc(Br)ccc1-n1ccc(C2CC2)n1.
What is the InChIKey of 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline?
The InChIKey is WGSYPZUKLSAJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-9-3-4-12(10(14)7-9)16-6-5-11(15-16)8-1-2-8/h3-8H,1-2,14H2.
What are the key properties of 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline?
5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline has a molecular weight of 278.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-cyclopropylpyrazol-1-yl)aniline is sourced from PubChem (CID 62492936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).