1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine

C7H11N3O2 — CID 103079232

IUPAC1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine
SMILESCn1cc(N)c(OC2COC2)n1
InChIInChI=1S/C7H11N3O2/c1-10-2-6(8)7(9-10)12-5-3-11-4-5/h2,5H,3-4,8H2,1H3
InChIKeyFPOFNFMMRWGUGG-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.22
Rot. Bonds2

About 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine

1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine (PubChem CID 103079232) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine
PubChem CID103079232
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine
SMILESCn1cc(N)c(OC2COC2)n1
InChIInChI=1S/C7H11N3O2/c1-10-2-6(8)7(9-10)12-5-3-11-4-5/h2,5H,3-4,8H2,1H3
InChIKeyFPOFNFMMRWGUGG-UHFFFAOYSA-N
XLogP-0.22
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine?
The IUPAC name of 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine (CID 103079232) is 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine.
What is the SMILES notation for 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine?
The canonical SMILES for 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine is Cn1cc(N)c(OC2COC2)n1.
What is the InChIKey of 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine?
The InChIKey is FPOFNFMMRWGUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10-2-6(8)7(9-10)12-5-3-11-4-5/h2,5H,3-4,8H2,1H3.
What are the key properties of 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine?
1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine has a molecular weight of 169.18 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(oxetan-3-yloxy)pyrazol-4-amine is sourced from PubChem (CID 103079232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).