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

C13H16N4O — CID 80521268

IUPAC5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCOCC2)c1-c1ccccn1
InChIInChI=1S/C13H16N4O/c14-13-11(10-3-1-2-6-15-10)12(16-17-13)9-4-7-18-8-5-9/h1-3,6,9H,4-5,7-8H2,(H3,14,16,17)
InChIKeyOPFUTUWZPHJNJO-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.95
Rot. Bonds2

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

5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine (PubChem CID 80521268) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
PubChem CID80521268
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2CCOCC2)c1-c1ccccn1
InChIInChI=1S/C13H16N4O/c14-13-11(10-3-1-2-6-15-10)12(16-17-13)9-4-7-18-8-5-9/h1-3,6,9H,4-5,7-8H2,(H3,14,16,17)
InChIKeyOPFUTUWZPHJNJO-UHFFFAOYSA-N
XLogP1.95
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine (CID 80521268) is 5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine is Nc1n[nH]c(C2CCOCC2)c1-c1ccccn1.
What is the InChIKey of 5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
The InChIKey is OPFUTUWZPHJNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c14-13-11(10-3-1-2-6-15-10)12(16-17-13)9-4-7-18-8-5-9/h1-3,6,9H,4-5,7-8H2,(H3,14,16,17).
What are the key properties of 5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine?
5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine has a molecular weight of 244.30 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-4-pyridin-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80521268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).