6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine

C14H20N4O — CID 62488631

IUPAC6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(-n2ccc(C(C)C)n2)ccc1N
InChIInChI=1S/C14H20N4O/c1-4-9-19-14-11(15)5-6-13(16-14)18-8-7-12(17-18)10(2)3/h5-8,10H,4,9,15H2,1-3H3
InChIKeyQSSSUJYCRNJFAZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.76
Rot. Bonds5

About 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine

6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine (PubChem CID 62488631) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine.

Molecular Properties

Compound Name6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine
PubChem CID62488631
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine
SMILESCCCOc1nc(-n2ccc(C(C)C)n2)ccc1N
InChIInChI=1S/C14H20N4O/c1-4-9-19-14-11(15)5-6-13(16-14)18-8-7-12(17-18)10(2)3/h5-8,10H,4,9,15H2,1-3H3
InChIKeyQSSSUJYCRNJFAZ-UHFFFAOYSA-N
XLogP2.76
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine?
The IUPAC name of 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine (CID 62488631) is 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine.
What is the SMILES notation for 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine?
The canonical SMILES for 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine is CCCOc1nc(-n2ccc(C(C)C)n2)ccc1N.
What is the InChIKey of 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine?
The InChIKey is QSSSUJYCRNJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-4-9-19-14-11(15)5-6-13(16-14)18-8-7-12(17-18)10(2)3/h5-8,10H,4,9,15H2,1-3H3.
What are the key properties of 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine?
6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine has a molecular weight of 260.34 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-propan-2-ylpyrazol-1-yl)-2-propoxypyridin-3-amine is sourced from PubChem (CID 62488631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).