5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine

C15H20N4O — CID 80524502

IUPAC5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CCC2CCCCO2)c1-c1ccncc1
InChIInChI=1S/C15H20N4O/c16-15-14(11-6-8-17-9-7-11)13(18-19-15)5-4-12-3-1-2-10-20-12/h6-9,12H,1-5,10H2,(H3,16,18,19)
InChIKeyRXELIUZVLVASOA-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.56
Rot. Bonds4

About 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine

5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 80524502) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID80524502
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(CCC2CCCCO2)c1-c1ccncc1
InChIInChI=1S/C15H20N4O/c16-15-14(11-6-8-17-9-7-11)13(18-19-15)5-4-12-3-1-2-10-20-12/h6-9,12H,1-5,10H2,(H3,16,18,19)
InChIKeyRXELIUZVLVASOA-UHFFFAOYSA-N
XLogP2.56
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 80524502) is 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(CCC2CCCCO2)c1-c1ccncc1.
What is the InChIKey of 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is RXELIUZVLVASOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c16-15-14(11-6-8-17-9-7-11)13(18-19-15)5-4-12-3-1-2-10-20-12/h6-9,12H,1-5,10H2,(H3,16,18,19).
What are the key properties of 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 272.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(oxan-2-yl)ethyl]-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80524502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).