2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine

C17H25N3 — CID 96668220

IUPAC2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cc(CCN)[nH]n1
InChIInChI=1S/C17H25N3/c1-11-8-13(17(3,4)5)9-12(2)16(11)15-10-14(6-7-18)19-20-15/h8-10H,6-7,18H2,1-5H3,(H,19,20)
InChIKeyCOVVXFUOHMJHKY-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.49
Rot. Bonds3

About 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine

2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 96668220) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID96668220
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCc1cc(C(C)(C)C)cc(C)c1-c1cc(CCN)[nH]n1
InChIInChI=1S/C17H25N3/c1-11-8-13(17(3,4)5)9-12(2)16(11)15-10-14(6-7-18)19-20-15/h8-10H,6-7,18H2,1-5H3,(H,19,20)
InChIKeyCOVVXFUOHMJHKY-UHFFFAOYSA-N
XLogP3.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine (CID 96668220) is 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine is Cc1cc(C(C)(C)C)cc(C)c1-c1cc(CCN)[nH]n1.
What is the InChIKey of 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is COVVXFUOHMJHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-11-8-13(17(3,4)5)9-12(2)16(11)15-10-14(6-7-18)19-20-15/h8-10H,6-7,18H2,1-5H3,(H,19,20).
What are the key properties of 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine?
2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 271.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butyl-2,6-dimethylphenyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 96668220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).