1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine

C12H15BrN4 — CID 83222873

IUPAC1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine
SMILESCC(C)(C)c1nn(-c2ccc(Br)cn2)cc1N
InChIInChI=1S/C12H15BrN4/c1-12(2,3)11-9(14)7-17(16-11)10-5-4-8(13)6-15-10/h4-7H,14H2,1-3H3
InChIKeyNDSPNVMLUYMZQK-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.91
Rot. Bonds1

About 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine

1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine (PubChem CID 83222873) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine
PubChem CID83222873
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine
SMILESCC(C)(C)c1nn(-c2ccc(Br)cn2)cc1N
InChIInChI=1S/C12H15BrN4/c1-12(2,3)11-9(14)7-17(16-11)10-5-4-8(13)6-15-10/h4-7H,14H2,1-3H3
InChIKeyNDSPNVMLUYMZQK-UHFFFAOYSA-N
XLogP2.91
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

1-(5-bromo-2-pyridinyl)-3-phenylpyrazol-4-amine
CID 83222872
1-(5-bromo-2-pyridinyl)-3-cyclopentylpyrazol-4-amine
CID 83223329
1-(5-bromo-2-pyridinyl)-3-(1,3-thiazol-2-yl)pyrazol-4-amine
CID 83222579
1-(5-bromo-2-pyridinyl)-3-(3-fluorophenyl)pyrazol-4-amine
CID 83222344
[1-(5-bromo-2-pyridinyl)-1,2,4-triazol-3-yl]methanamine
CID 62952242
3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-4-amine
CID 83216651
1-(5-bromo-2-pyridinyl)-3-tert-butyl-5-chloropyrazole-4-carbonitrile
CID 65349140
2-[3-(5-bromo-2-pyridinyl)imidazol-4-yl]propan-2-amine
CID 114703974
5-bromo-2-(4-methoxypyrazol-1-yl)pyridine
CID 130511258
2-(5-bromo-2-pyridinyl)-5-tert-butyl-1H-pyrazole-3-thione
CID 65349474
2-(5-bromo-2-pyridinyl)-5-tert-butyl-1H-pyrazol-3-one
CID 66022773
5-bromo-2-(4-nitropyrazol-1-yl)pyridine
CID 61373223

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine (CID 83222873) is 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine is CC(C)(C)c1nn(-c2ccc(Br)cn2)cc1N.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine?
The InChIKey is NDSPNVMLUYMZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-12(2,3)11-9(14)7-17(16-11)10-5-4-8(13)6-15-10/h4-7H,14H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine?
1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine has a molecular weight of 295.18 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-tert-butylpyrazol-4-amine is sourced from PubChem (CID 83222873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).