6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine

C16H22N4O — CID 79911435

IUPAC6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine
SMILESCC1(C)CC(Nc2ccc(-n3cccn3)nc2)C(C)(C)O1
InChIInChI=1S/C16H22N4O/c1-15(2)10-13(16(3,4)21-15)19-12-6-7-14(17-11-12)20-9-5-8-18-20/h5-9,11,13,19H,10H2,1-4H3
InChIKeyFBBJYPHHNPIJFT-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.03
Rot. Bonds3

About 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine

6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine (PubChem CID 79911435) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine
PubChem CID79911435
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine
SMILESCC1(C)CC(Nc2ccc(-n3cccn3)nc2)C(C)(C)O1
InChIInChI=1S/C16H22N4O/c1-15(2)10-13(16(3,4)21-15)19-12-6-7-14(17-11-12)20-9-5-8-18-20/h5-9,11,13,19H,10H2,1-4H3
InChIKeyFBBJYPHHNPIJFT-UHFFFAOYSA-N
XLogP3.03
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine?
The IUPAC name of 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine (CID 79911435) is 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine.
What is the SMILES notation for 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine?
The canonical SMILES for 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine is CC1(C)CC(Nc2ccc(-n3cccn3)nc2)C(C)(C)O1.
What is the InChIKey of 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine?
The InChIKey is FBBJYPHHNPIJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-15(2)10-13(16(3,4)21-15)19-12-6-7-14(17-11-12)20-9-5-8-18-20/h5-9,11,13,19H,10H2,1-4H3.
What are the key properties of 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine?
6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-3-amine is sourced from PubChem (CID 79911435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).