4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide

C10H14FN3O2 — CID 166258749

IUPAC4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide
SMILESO=C(CCCF)Nc1ccnn1C1COC1
InChIInChI=1S/C10H14FN3O2/c11-4-1-2-10(15)13-9-3-5-12-14(9)8-6-16-7-8/h3,5,8H,1-2,4,6-7H2,(H,13,15)
InChIKeyOSFJWLYWWDXDLE-UHFFFAOYSA-N
MW227.24 g/mol
LogP1.14
Rot. Bonds5

About 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide

4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide (PubChem CID 166258749) has the molecular formula C10H14FN3O2 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide
PubChem CID166258749
Molecular FormulaC10H14FN3O2
Molecular Weight227.24 g/mol
Exact Mass227.11
IUPAC Name4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide
SMILESO=C(CCCF)Nc1ccnn1C1COC1
InChIInChI=1S/C10H14FN3O2/c11-4-1-2-10(15)13-9-3-5-12-14(9)8-6-16-7-8/h3,5,8H,1-2,4,6-7H2,(H,13,15)
InChIKeyOSFJWLYWWDXDLE-UHFFFAOYSA-N
XLogP1.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide?
The IUPAC name of 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide (CID 166258749) is 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide.
What is the SMILES notation for 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide?
The canonical SMILES for 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide is O=C(CCCF)Nc1ccnn1C1COC1.
What is the InChIKey of 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide?
The InChIKey is OSFJWLYWWDXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O2/c11-4-1-2-10(15)13-9-3-5-12-14(9)8-6-16-7-8/h3,5,8H,1-2,4,6-7H2,(H,13,15).
What are the key properties of 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide?
4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide has a molecular weight of 227.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide is sourced from PubChem (CID 166258749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).