1-(oxan-4-ylmethyl)pyrazol-3-amine

C9H15N3O — CID 62385497

IUPAC1-(oxan-4-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(CC2CCOCC2)n1
InChIInChI=1S/C9H15N3O/c10-9-1-4-12(11-9)7-8-2-5-13-6-3-8/h1,4,8H,2-3,5-7H2,(H2,10,11)
InChIKeyQEPILCRKOIFUEX-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.89
Rot. Bonds2

About 1-(oxan-4-ylmethyl)pyrazol-3-amine

1-(oxan-4-ylmethyl)pyrazol-3-amine (PubChem CID 62385497) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)pyrazol-3-amine
PubChem CID62385497
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name1-(oxan-4-ylmethyl)pyrazol-3-amine
SMILESNc1ccn(CC2CCOCC2)n1
InChIInChI=1S/C9H15N3O/c10-9-1-4-12(11-9)7-8-2-5-13-6-3-8/h1,4,8H,2-3,5-7H2,(H2,10,11)
InChIKeyQEPILCRKOIFUEX-UHFFFAOYSA-N
XLogP0.89
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)pyrazol-3-amine?
The IUPAC name of 1-(oxan-4-ylmethyl)pyrazol-3-amine (CID 62385497) is 1-(oxan-4-ylmethyl)pyrazol-3-amine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)pyrazol-3-amine?
The canonical SMILES for 1-(oxan-4-ylmethyl)pyrazol-3-amine is Nc1ccn(CC2CCOCC2)n1.
What is the InChIKey of 1-(oxan-4-ylmethyl)pyrazol-3-amine?
The InChIKey is QEPILCRKOIFUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-9-1-4-12(11-9)7-8-2-5-13-6-3-8/h1,4,8H,2-3,5-7H2,(H2,10,11).
What are the key properties of 1-(oxan-4-ylmethyl)pyrazol-3-amine?
1-(oxan-4-ylmethyl)pyrazol-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)pyrazol-3-amine is sourced from PubChem (CID 62385497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).