1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine

C17H24ClN3 — CID 105035202

IUPAC1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CC(N)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H24ClN3/c1-11-13(16(18)21(5)20-11)10-15(19)12-8-6-7-9-14(12)17(2,3)4/h6-9,15H,10,19H2,1-5H3
InChIKeyHFLRCHAQIOHIRI-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.92
Rot. Bonds3

About 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine

1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine (PubChem CID 105035202) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
PubChem CID105035202
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CC(N)c1ccccc1C(C)(C)C
InChIInChI=1S/C17H24ClN3/c1-11-13(16(18)21(5)20-11)10-15(19)12-8-6-7-9-14(12)17(2,3)4/h6-9,15H,10,19H2,1-5H3
InChIKeyHFLRCHAQIOHIRI-UHFFFAOYSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035077
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-phenylpropan-2-amine
CID 113470210
1-(2-methylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105094800
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(2-fluorophenyl)ethanol
CID 113470074
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 105034993
1-(4-bromo-2-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 105035188
1-(5-bromo-3-pyridinyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine
CID 113470316
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-ethylpentan-2-amine
CID 105035109
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 113470301
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(5-methyl-3-pyridinyl)ethanamine
CID 105180396
1-(3-bromo-2-methylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 115832418
1-(2-amino-3-methoxyphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanol
CID 107469558

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine (CID 105035202) is 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(Cl)c1CC(N)c1ccccc1C(C)(C)C.
What is the InChIKey of 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is HFLRCHAQIOHIRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-11-13(16(18)21(5)20-11)10-15(19)12-8-6-7-9-14(12)17(2,3)4/h6-9,15H,10,19H2,1-5H3.
What are the key properties of 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine?
1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 305.85 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105035202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).