1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole

C12H18N2O2 — CID 167258896

IUPAC1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole
SMILESCCCc1cn(C2CC2)nc1OC1COC1
InChIInChI=1S/C12H18N2O2/c1-2-3-9-6-14(10-4-5-10)13-12(9)16-11-7-15-8-11/h6,10-11H,2-5,7-8H2,1H3
InChIKeyNIZYGOHRCRYJFQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.95
Rot. Bonds5

About 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole

1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole (PubChem CID 167258896) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole.

Molecular Properties

Compound Name1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole
PubChem CID167258896
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole
SMILESCCCc1cn(C2CC2)nc1OC1COC1
InChIInChI=1S/C12H18N2O2/c1-2-3-9-6-14(10-4-5-10)13-12(9)16-11-7-15-8-11/h6,10-11H,2-5,7-8H2,1H3
InChIKeyNIZYGOHRCRYJFQ-UHFFFAOYSA-N
XLogP1.95
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole?
The IUPAC name of 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole (CID 167258896) is 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole.
What is the SMILES notation for 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole?
The canonical SMILES for 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole is CCCc1cn(C2CC2)nc1OC1COC1.
What is the InChIKey of 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole?
The InChIKey is NIZYGOHRCRYJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-3-9-6-14(10-4-5-10)13-12(9)16-11-7-15-8-11/h6,10-11H,2-5,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole?
1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole has a molecular weight of 222.29 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(oxetan-3-yloxy)-4-propylpyrazole is sourced from PubChem (CID 167258896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).