2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine

C12H20BrN3 — CID 62566245

IUPAC2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
SMILESBrc1cnn(CCNCC2CCCCC2)c1
InChIInChI=1S/C12H20BrN3/c13-12-9-15-16(10-12)7-6-14-8-11-4-2-1-3-5-11/h9-11,14H,1-8H2
InChIKeyNISTUQXBKUOASB-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.82
Rot. Bonds5

About 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine

2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine (PubChem CID 62566245) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
PubChem CID62566245
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine
SMILESBrc1cnn(CCNCC2CCCCC2)c1
InChIInChI=1S/C12H20BrN3/c13-12-9-15-16(10-12)7-6-14-8-11-4-2-1-3-5-11/h9-11,14H,1-8H2
InChIKeyNISTUQXBKUOASB-UHFFFAOYSA-N
XLogP2.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.82
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 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine (CID 62566245) is 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine is Brc1cnn(CCNCC2CCCCC2)c1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine?
The InChIKey is NISTUQXBKUOASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c13-12-9-15-16(10-12)7-6-14-8-11-4-2-1-3-5-11/h9-11,14H,1-8H2.
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine?
2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine has a molecular weight of 286.22 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-(cyclohexylmethyl)ethanamine is sourced from PubChem (CID 62566245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).