1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine

C10H17N3O3 — CID 166528100

IUPAC1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine
SMILESCOCC(C)n1cc(N)c(OC2COC2)n1
InChIInChI=1S/C10H17N3O3/c1-7(4-14-2)13-3-9(11)10(12-13)16-8-5-15-6-8/h3,7-8H,4-6,11H2,1-2H3
InChIKeyVOPNMLFGFFJLTO-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.45
Rot. Bonds5

About 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine

1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine (PubChem CID 166528100) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine
PubChem CID166528100
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine
SMILESCOCC(C)n1cc(N)c(OC2COC2)n1
InChIInChI=1S/C10H17N3O3/c1-7(4-14-2)13-3-9(11)10(12-13)16-8-5-15-6-8/h3,7-8H,4-6,11H2,1-2H3
InChIKeyVOPNMLFGFFJLTO-UHFFFAOYSA-N
XLogP0.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine (CID 166528100) is 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine is COCC(C)n1cc(N)c(OC2COC2)n1.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine?
The InChIKey is VOPNMLFGFFJLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-7(4-14-2)13-3-9(11)10(12-13)16-8-5-15-6-8/h3,7-8H,4-6,11H2,1-2H3.
What are the key properties of 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine?
1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine has a molecular weight of 227.26 g/mol, XLogP of 0.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-amine is sourced from PubChem (CID 166528100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).