2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine

C15H20FN3 — CID 83987278

IUPAC2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine
SMILESCC(C)(C)c1cc(C(CN)c2ccccc2F)[nH]n1
InChIInChI=1S/C15H20FN3/c1-15(2,3)14-8-13(18-19-14)11(9-17)10-6-4-5-7-12(10)16/h4-8,11H,9,17H2,1-3H3,(H,18,19)
InChIKeyJRBNIFNJNZEMHT-UHFFFAOYSA-N
MW261.34 g/mol
LogP2.94
Rot. Bonds3

About 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine

2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine (PubChem CID 83987278) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine
PubChem CID83987278
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine
SMILESCC(C)(C)c1cc(C(CN)c2ccccc2F)[nH]n1
InChIInChI=1S/C15H20FN3/c1-15(2,3)14-8-13(18-19-14)11(9-17)10-6-4-5-7-12(10)16/h4-8,11H,9,17H2,1-3H3,(H,18,19)
InChIKeyJRBNIFNJNZEMHT-UHFFFAOYSA-N
XLogP2.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(3-tert-butyl-1H-pyrazol-5-yl)ethanol
CID 83828671
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(4-ethoxy-3-methylphenyl)ethanamine
CID 83986850
2-(2,5-difluorophenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanamine
CID 83987309
2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine
CID 82282761
2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine
CID 83987184
2-(2-bromophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethanamine
CID 83987324
(2S)-2-(2-fluorophenyl)-2-pyridin-2-ylethanamine
CID 39243625
2-(2-fluorophenyl)-2-(3-methoxyphenyl)ethanamine
CID 82023293
2-amino-2-(3-tert-butyl-1H-pyrazol-5-yl)acetic acid
CID 83831354
3-tert-butyl-5-[(2R)-3-methylbutan-2-yl]-1H-pyrazole
CID 166904793
2-(4-chlorophenyl)-2-(2-fluorophenyl)ethanamine
CID 82023285
2-(2-methoxyphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
CID 83986936

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine?
The IUPAC name of 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine (CID 83987278) is 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine is CC(C)(C)c1cc(C(CN)c2ccccc2F)[nH]n1.
What is the InChIKey of 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine?
The InChIKey is JRBNIFNJNZEMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-15(2,3)14-8-13(18-19-14)11(9-17)10-6-4-5-7-12(10)16/h4-8,11H,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine?
2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine has a molecular weight of 261.34 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-1H-pyrazol-5-yl)-2-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 83987278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).