2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide

C10H12FN3O2 — CID 167770939

IUPAC2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide
SMILESC=C(F)C(=O)N[C@@H]1COC[C@@H]1n1cccn1
InChIInChI=1S/C10H12FN3O2/c1-7(11)10(15)13-8-5-16-6-9(8)14-4-2-3-12-14/h2-4,8-9H,1,5-6H2,(H,13,15)/t8-,9+/m1/s1
InChIKeyHUCJDQUCXZKASH-BDAKNGLRSA-N
MW225.22 g/mol
LogP0.42
Rot. Bonds3

About 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide

2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide (PubChem CID 167770939) has the molecular formula C10H12FN3O2 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide
PubChem CID167770939
Molecular FormulaC10H12FN3O2
Molecular Weight225.22 g/mol
Exact Mass225.09
IUPAC Name2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide
SMILESC=C(F)C(=O)N[C@@H]1COC[C@@H]1n1cccn1
InChIInChI=1S/C10H12FN3O2/c1-7(11)10(15)13-8-5-16-6-9(8)14-4-2-3-12-14/h2-4,8-9H,1,5-6H2,(H,13,15)/t8-,9+/m1/s1
InChIKeyHUCJDQUCXZKASH-BDAKNGLRSA-N
XLogP0.42
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide?
The IUPAC name of 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide (CID 167770939) is 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide.
What is the SMILES notation for 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide?
The canonical SMILES for 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide is C=C(F)C(=O)N[C@@H]1COC[C@@H]1n1cccn1.
What is the InChIKey of 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide?
The InChIKey is HUCJDQUCXZKASH-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H12FN3O2/c1-7(11)10(15)13-8-5-16-6-9(8)14-4-2-3-12-14/h2-4,8-9H,1,5-6H2,(H,13,15)/t8-,9+/m1/s1.
What are the key properties of 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide?
2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide has a molecular weight of 225.22 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3S,4R)-4-pyrazol-1-yloxolan-3-yl]prop-2-enamide is sourced from PubChem (CID 167770939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).