6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine

C11H20ClN3 — CID 107845447

IUPAC6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
SMILESClCCCCCCNCCn1cccn1
InChIInChI=1S/C11H20ClN3/c12-6-3-1-2-4-7-13-9-11-15-10-5-8-14-15/h5,8,10,13H,1-4,6-7,9,11H2
InChIKeyXINCINMWKAXJSQ-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.27
Rot. Bonds9

About 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine

6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine (PubChem CID 107845447) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine.

Molecular Properties

Compound Name6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
PubChem CID107845447
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine
SMILESClCCCCCCNCCn1cccn1
InChIInChI=1S/C11H20ClN3/c12-6-3-1-2-4-7-13-9-11-15-10-5-8-14-15/h5,8,10,13H,1-4,6-7,9,11H2
InChIKeyXINCINMWKAXJSQ-UHFFFAOYSA-N
XLogP2.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1H-pyrazol-1-yl)ethan-1-amine
CID 1133022
1-(pyrrolidin-2-ylmethyl)-1H-pyrazole
CID 25220770
3-(1H-pyrazol-1-yl)piperidine
CID 47003266
2-(1H-pyrazol-1-ylmethyl)piperidine
CID 54592627
2-(1H-pyrazol-1-yl)cyclohexan-1-amine
CID 15844085
N-Methyl-1H-pyrazole-1-ethanamine
CID 23006101
3-(1H-pyrazol-1-yl)piperidine hydrochloride
CID 122164252
1-[3-(pyrrolidin-2-yl)propyl]-1H-pyrazole
CID 25248382
1-(pyrrolidin-2-ylmethyl)-1H-pyrazole dihydrochloride
CID 50988262
1-{[(2R)-pyrrolidin-2-yl]methyl}-1H-pyrazole dihydrochloride
CID 177800541
2-Pyrazol-1-ylethylammonium chloride
CID 139060900
N-(1-pyrazol-1-ylpropan-2-yl)heptan-2-amine
CID 43749203

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine?
The IUPAC name of 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine (CID 107845447) is 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine.
What is the SMILES notation for 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine?
The canonical SMILES for 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine is ClCCCCCCNCCn1cccn1.
What is the InChIKey of 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine?
The InChIKey is XINCINMWKAXJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c12-6-3-1-2-4-7-13-9-11-15-10-5-8-14-15/h5,8,10,13H,1-4,6-7,9,11H2.
What are the key properties of 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine?
6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine has a molecular weight of 229.75 g/mol, XLogP of 2.27, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-pyrazol-1-ylethyl)hexan-1-amine is sourced from PubChem (CID 107845447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).