1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine

C17H24ClN3 — CID 82699665

IUPAC1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
SMILESCCc1cc(CC)n(-c2cccc(Cl)c2CC(N)CC)n1
InChIInChI=1S/C17H24ClN3/c1-4-12(19)10-15-16(18)8-7-9-17(15)21-14(6-3)11-13(5-2)20-21/h7-9,11-12H,4-6,10,19H2,1-3H3
InChIKeyFOWLXPREGJIYJF-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.93
Rot. Bonds6

About 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine

1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine (PubChem CID 82699665) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
PubChem CID82699665
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
SMILESCCc1cc(CC)n(-c2cccc(Cl)c2CC(N)CC)n1
InChIInChI=1S/C17H24ClN3/c1-4-12(19)10-15-16(18)8-7-9-17(15)21-14(6-3)11-13(5-2)20-21/h7-9,11-12H,4-6,10,19H2,1-3H3
InChIKeyFOWLXPREGJIYJF-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine
CID 114862591
1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanamine
CID 82694023
1-[2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)phenyl]butan-2-amine
CID 79183981
1-(2-chloro-6-morpholin-4-ylphenyl)butan-2-amine
CID 55234857
1-[4-(3,5-diethylpyrazol-1-yl)-2-methylphenyl]butan-2-amine
CID 82699660
[1-(2,6-dichlorophenyl)-3-(3-ethyl-1-methylpyrazol-5-yl)propan-2-yl]hydrazine
CID 105209868
1-[2-chloro-6-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]propan-2-amine
CID 63815206
(1S)-1-[2-(3,5-diethylpyrazol-1-yl)-6-fluorophenyl]ethanol
CID 82695199
1-[2-chloro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]butan-2-amine
CID 66370852
1-[2-chloro-6-(1,4-oxazepan-4-yl)phenyl]butan-2-amine
CID 55236034
(1R)-1-[2-(3,5-diethylpyrazol-1-yl)phenyl]ethanol
CID 82694027
1-[2-chloro-6-(3-methoxy-3-methylpiperidin-1-yl)phenyl]butan-2-amine
CID 107395892

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine?
The IUPAC name of 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine (CID 82699665) is 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine is CCc1cc(CC)n(-c2cccc(Cl)c2CC(N)CC)n1.
What is the InChIKey of 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine?
The InChIKey is FOWLXPREGJIYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-4-12(19)10-15-16(18)8-7-9-17(15)21-14(6-3)11-13(5-2)20-21/h7-9,11-12H,4-6,10,19H2,1-3H3.
What are the key properties of 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine?
1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine has a molecular weight of 305.85 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(3,5-diethylpyrazol-1-yl)phenyl]butan-2-amine is sourced from PubChem (CID 82699665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).