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

C8H13N3O — CID 154928122

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC5-(oxan-3-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1C1CCCOC1
InChIInChI=1S/C8H13N3O/c9-7-4-10-11-8(7)6-2-1-3-12-5-6/h4,6H,1-3,5,9H2,(H,10,11)
InChIKeyXZSTVNCKEIWDPM-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.89
Rot. Bonds1

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

5-(oxan-3-yl)-1H-pyrazol-4-amine (PubChem CID 154928122) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(oxan-3-yl)-1H-pyrazol-4-amine.

Molecular Properties

Compound Name5-(oxan-3-yl)-1H-pyrazol-4-amine
PubChem CID154928122
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name5-(oxan-3-yl)-1H-pyrazol-4-amine
SMILESNc1cn[nH]c1C1CCCOC1
InChIInChI=1S/C8H13N3O/c9-7-4-10-11-8(7)6-2-1-3-12-5-6/h4,6H,1-3,5,9H2,(H,10,11)
InChIKeyXZSTVNCKEIWDPM-UHFFFAOYSA-N
XLogP0.89
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(oxan-3-yl)-1H-pyrazol-4-amine?
The IUPAC name of 5-(oxan-3-yl)-1H-pyrazol-4-amine (CID 154928122) is 5-(oxan-3-yl)-1H-pyrazol-4-amine.
What is the SMILES notation for 5-(oxan-3-yl)-1H-pyrazol-4-amine?
The canonical SMILES for 5-(oxan-3-yl)-1H-pyrazol-4-amine is Nc1cn[nH]c1C1CCCOC1.
What is the InChIKey of 5-(oxan-3-yl)-1H-pyrazol-4-amine?
The InChIKey is XZSTVNCKEIWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7-4-10-11-8(7)6-2-1-3-12-5-6/h4,6H,1-3,5,9H2,(H,10,11).
What are the key properties of 5-(oxan-3-yl)-1H-pyrazol-4-amine?
5-(oxan-3-yl)-1H-pyrazol-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-3-yl)-1H-pyrazol-4-amine is sourced from PubChem (CID 154928122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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