4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine

C11H20ClN3 — CID 103015314

IUPAC4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
SMILESCC(Cl)CC(C)NCCc1cnn(C)c1
InChIInChI=1S/C11H20ClN3/c1-9(12)6-10(2)13-5-4-11-7-14-15(3)8-11/h7-10,13H,4-6H2,1-3H3
InChIKeyOLYGKZFYVOZCDR-UHFFFAOYSA-N
MW229.75 g/mol
LogP1.96
Rot. Bonds6

About 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine

4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine (PubChem CID 103015314) has the molecular formula C11H20ClN3 and a molecular weight of 229.75 g/mol. Its IUPAC name is 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine.

Molecular Properties

Compound Name4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
PubChem CID103015314
Molecular FormulaC11H20ClN3
Molecular Weight229.75 g/mol
Exact Mass229.13
IUPAC Name4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine
SMILESCC(Cl)CC(C)NCCc1cnn(C)c1
InChIInChI=1S/C11H20ClN3/c1-9(12)6-10(2)13-5-4-11-7-14-15(3)8-11/h7-10,13H,4-6H2,1-3H3
InChIKeyOLYGKZFYVOZCDR-UHFFFAOYSA-N
XLogP1.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-2-ol
CID 103001980
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
4,4,4-trifluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]butan-2-amine
CID 115710852
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 103947686
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
1-(4-iodophenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682809
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 80682119
(2S)-N-[2-(1-methylpyrazol-4-yl)ethyl]-4-pyrazol-1-ylbutan-2-amine
CID 124594412
1-(1-methylimidazol-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682912
1-(3,4-dimethylphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 80682865
4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine?
The IUPAC name of 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine (CID 103015314) is 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine.
What is the SMILES notation for 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine?
The canonical SMILES for 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine is CC(Cl)CC(C)NCCc1cnn(C)c1.
What is the InChIKey of 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine?
The InChIKey is OLYGKZFYVOZCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN3/c1-9(12)6-10(2)13-5-4-11-7-14-15(3)8-11/h7-10,13H,4-6H2,1-3H3.
What are the key properties of 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine?
4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine has a molecular weight of 229.75 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentan-2-amine is sourced from PubChem (CID 103015314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).