4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine

C11H19BrN4 — CID 65078401

IUPAC4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine
SMILESCCN1CCCC(n2ncc(Br)c2N)CC1
InChIInChI=1S/C11H19BrN4/c1-2-15-6-3-4-9(5-7-15)16-11(13)10(12)8-14-16/h8-9H,2-7,13H2,1H3
InChIKeyZINHUFDRBFXLIK-UHFFFAOYSA-N
MW287.20 g/mol
LogP2.27
Rot. Bonds2

About 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine

4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine (PubChem CID 65078401) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine.

Molecular Properties

Compound Name4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine
PubChem CID65078401
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC Name4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine
SMILESCCN1CCCC(n2ncc(Br)c2N)CC1
InChIInChI=1S/C11H19BrN4/c1-2-15-6-3-4-9(5-7-15)16-11(13)10(12)8-14-16/h8-9H,2-7,13H2,1H3
InChIKeyZINHUFDRBFXLIK-UHFFFAOYSA-N
XLogP2.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine?
The IUPAC name of 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine (CID 65078401) is 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine.
What is the SMILES notation for 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine?
The canonical SMILES for 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine is CCN1CCCC(n2ncc(Br)c2N)CC1.
What is the InChIKey of 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine?
The InChIKey is ZINHUFDRBFXLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-2-15-6-3-4-9(5-7-15)16-11(13)10(12)8-14-16/h8-9H,2-7,13H2,1H3.
What are the key properties of 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine?
4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine has a molecular weight of 287.20 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(1-ethylazepan-4-yl)pyrazol-5-amine is sourced from PubChem (CID 65078401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).