5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine

C12H14BrN3 — CID 117449534

IUPAC5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
SMILESCC(C)c1cc(Br)cc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C12H14BrN3/c1-7(2)8-3-9(5-10(13)4-8)11-6-12(14)16-15-11/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyPAHVKBQTPVMLFC-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.54
Rot. Bonds2

About 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine

5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine (PubChem CID 117449534) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
PubChem CID117449534
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
SMILESCC(C)c1cc(Br)cc(-c2cc(N)n[nH]2)c1
InChIInChI=1S/C12H14BrN3/c1-7(2)8-3-9(5-10(13)4-8)11-6-12(14)16-15-11/h3-7H,1-2H3,(H3,14,15,16)
InChIKeyPAHVKBQTPVMLFC-UHFFFAOYSA-N
XLogP3.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine (CID 117449534) is 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine is CC(C)c1cc(Br)cc(-c2cc(N)n[nH]2)c1.
What is the InChIKey of 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The InChIKey is PAHVKBQTPVMLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-7(2)8-3-9(5-10(13)4-8)11-6-12(14)16-15-11/h3-7H,1-2H3,(H3,14,15,16).
What are the key properties of 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine?
5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine has a molecular weight of 280.17 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117449534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).