4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine

C12H22BrN3 — CID 62442513

IUPAC4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)n1cc(Br)cn1
InChIInChI=1S/C12H22BrN3/c1-10(2)7-14-6-4-5-11(3)16-9-12(13)8-15-16/h8-11,14H,4-7H2,1-3H3
InChIKeyBBIJNIFVHQEZBS-UHFFFAOYSA-N
MW288.23 g/mol
LogP3.23
Rot. Bonds7

About 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine

4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62442513) has the molecular formula C12H22BrN3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID62442513
Molecular FormulaC12H22BrN3
Molecular Weight288.23 g/mol
Exact Mass287.10
IUPAC Name4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)n1cc(Br)cn1
InChIInChI=1S/C12H22BrN3/c1-10(2)7-14-6-4-5-11(3)16-9-12(13)8-15-16/h8-11,14H,4-7H2,1-3H3
InChIKeyBBIJNIFVHQEZBS-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine (CID 62442513) is 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCC(C)n1cc(Br)cn1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is BBIJNIFVHQEZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3/c1-10(2)7-14-6-4-5-11(3)16-9-12(13)8-15-16/h8-11,14H,4-7H2,1-3H3.
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine?
4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 288.23 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62442513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).