1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine

C12H15BrN4 — CID 82702781

IUPAC1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(-c2ccc(Br)cn2)c(CC)c1N
InChIInChI=1S/C12H15BrN4/c1-3-9-12(14)10(4-2)17(16-9)11-6-5-8(13)7-15-11/h5-7H,3-4,14H2,1-2H3
InChIKeyAQTOPNCUIHJNEE-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.74
Rot. Bonds3

About 1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine

1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine (PubChem CID 82702781) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine
PubChem CID82702781
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine
SMILESCCc1nn(-c2ccc(Br)cn2)c(CC)c1N
InChIInChI=1S/C12H15BrN4/c1-3-9-12(14)10(4-2)17(16-9)11-6-5-8(13)7-15-11/h5-7H,3-4,14H2,1-2H3
InChIKeyAQTOPNCUIHJNEE-UHFFFAOYSA-N
XLogP2.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine (CID 82702781) is 1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine is CCc1nn(-c2ccc(Br)cn2)c(CC)c1N.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
The InChIKey is AQTOPNCUIHJNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-3-9-12(14)10(4-2)17(16-9)11-6-5-8(13)7-15-11/h5-7H,3-4,14H2,1-2H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine?
1-(5-bromo-2-pyridinyl)-3,5-diethylpyrazol-4-amine has a molecular weight of 295.18 g/mol, XLogP of 2.74, 3 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)-3,5-diethylpyrazol-4-amine is sourced from PubChem (CID 82702781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).