2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine

C24H24N4O — CID 71655430

IUPAC2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C24H24N4O/c1-24(2,3)18-12-7-8-14-21(18)29-23-19(13-9-15-25-23)26-22-16-20(27-28-22)17-10-5-4-6-11-17/h4-16H,1-3H3,(H2,26,27,28)
InChIKeyYSMXSXSNGQOAEB-UHFFFAOYSA-N
MW384.48 g/mol
LogP6.31
Rot. Bonds5

About 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine

2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine (PubChem CID 71655430) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine
PubChem CID71655430
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine
SMILESCC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(-c2ccccc2)[nH]n1
InChIInChI=1S/C24H24N4O/c1-24(2,3)18-12-7-8-14-21(18)29-23-19(13-9-15-25-23)26-22-16-20(27-28-22)17-10-5-4-6-11-17/h4-16H,1-3H3,(H2,26,27,28)
InChIKeyYSMXSXSNGQOAEB-UHFFFAOYSA-N
XLogP6.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine?
The IUPAC name of 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine (CID 71655430) is 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine?
The canonical SMILES for 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine is CC(C)(C)c1ccccc1Oc1ncccc1Nc1cc(-c2ccccc2)[nH]n1.
What is the InChIKey of 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine?
The InChIKey is YSMXSXSNGQOAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-24(2,3)18-12-7-8-14-21(18)29-23-19(13-9-15-25-23)26-22-16-20(27-28-22)17-10-5-4-6-11-17/h4-16H,1-3H3,(H2,26,27,28).
What are the key properties of 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine?
2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine has a molecular weight of 384.48 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butylphenoxy)-N-(5-phenyl-1H-pyrazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 71655430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).