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

C8H13N3O — CID 67009691

IUPACN-(oxan-4-yl)-1H-pyrazol-5-amine
SMILESc1cc(NC2CCOCC2)[nH]n1
InChIInChI=1S/C8H13N3O/c1-4-9-11-8(1)10-7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10,11)
InChIKeyFVJQNEKNMIVVJH-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.00
Rot. Bonds2

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

N-(oxan-4-yl)-1H-pyrazol-5-amine (PubChem CID 67009691) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(oxan-4-yl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(oxan-4-yl)-1H-pyrazol-5-amine
PubChem CID67009691
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(oxan-4-yl)-1H-pyrazol-5-amine
SMILESc1cc(NC2CCOCC2)[nH]n1
InChIInChI=1S/C8H13N3O/c1-4-9-11-8(1)10-7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10,11)
InChIKeyFVJQNEKNMIVVJH-UHFFFAOYSA-N
XLogP1.00
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-1H-pyrazol-5-amine?
The IUPAC name of N-(oxan-4-yl)-1H-pyrazol-5-amine (CID 67009691) is N-(oxan-4-yl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(oxan-4-yl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(oxan-4-yl)-1H-pyrazol-5-amine is c1cc(NC2CCOCC2)[nH]n1.
What is the InChIKey of N-(oxan-4-yl)-1H-pyrazol-5-amine?
The InChIKey is FVJQNEKNMIVVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-4-9-11-8(1)10-7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2,(H2,9,10,11).
What are the key properties of N-(oxan-4-yl)-1H-pyrazol-5-amine?
N-(oxan-4-yl)-1H-pyrazol-5-amine has a molecular weight of 167.21 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-1H-pyrazol-5-amine is sourced from PubChem (CID 67009691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).