1-(oxan-3-yl)pyrazol-3-amine

C8H13N3O — CID 84652730

IUPAC1-(oxan-3-yl)pyrazol-3-amine
SMILESNc1ccn(C2CCCOC2)n1
InChIInChI=1S/C8H13N3O/c9-8-3-4-11(10-8)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6H2,(H2,9,10)
InChIKeyLHEQKPKPNWUCNA-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.82
Rot. Bonds1

About 1-(oxan-3-yl)pyrazol-3-amine

1-(oxan-3-yl)pyrazol-3-amine (PubChem CID 84652730) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(oxan-3-yl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(oxan-3-yl)pyrazol-3-amine
PubChem CID84652730
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(oxan-3-yl)pyrazol-3-amine
SMILESNc1ccn(C2CCCOC2)n1
InChIInChI=1S/C8H13N3O/c9-8-3-4-11(10-8)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6H2,(H2,9,10)
InChIKeyLHEQKPKPNWUCNA-UHFFFAOYSA-N
XLogP0.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Amino-1H-pyrazol-1-yl)ethan-1-ol
CID 21279853
1-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 45116728
1-(2-(morpholin-4-yl)ethyl)-1H-pyrazol-3-amine
CID 50989708
1-((oxolan-3-yl)methyl)-1H-pyrazol-3-amine
CID 61312633
1-[(Oxan-4-yl)methyl]-1H-pyrazol-3-amine
CID 62385497
1-[3-(morpholin-4-yl)propyl]-1H-pyrazol-3-amine
CID 63310505
1-(oxolan-3-yl)-1H-pyrazol-5-amine
CID 63335329
1-(oxan-4-yl)-1H-pyrazol-3-amine
CID 63937838
1-(oxetan-3-yl)-1H-pyrazol-3-amine
CID 145875913
1-(3-methoxypropyl)-N-(oxan-4-yl)pyrazol-3-amine
CID 71918463
1-[(5,5-Difluorooxan-2-yl)methyl]pyrazol-3-amine
CID 145966610
1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazol-3-amine
CID 61490885

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-3-yl)pyrazol-3-amine?
The IUPAC name of 1-(oxan-3-yl)pyrazol-3-amine (CID 84652730) is 1-(oxan-3-yl)pyrazol-3-amine.
What is the SMILES notation for 1-(oxan-3-yl)pyrazol-3-amine?
The canonical SMILES for 1-(oxan-3-yl)pyrazol-3-amine is Nc1ccn(C2CCCOC2)n1.
What is the InChIKey of 1-(oxan-3-yl)pyrazol-3-amine?
The InChIKey is LHEQKPKPNWUCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-8-3-4-11(10-8)7-2-1-5-12-6-7/h3-4,7H,1-2,5-6H2,(H2,9,10).
What are the key properties of 1-(oxan-3-yl)pyrazol-3-amine?
1-(oxan-3-yl)pyrazol-3-amine has a molecular weight of 167.21 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-3-yl)pyrazol-3-amine is sourced from PubChem (CID 84652730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).