N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide

C18H15FN4O2 — CID 135316149

IUPACN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2)COC1
InChIInChI=1S/C18H15FN4O2/c19-15-10-14(6-8-20-15)23-9-7-16(22-23)21-17(24)18(11-25-12-18)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,21,22,24)
InChIKeyVRAUKNXOJMGQKT-UHFFFAOYSA-N
MW338.34 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide

N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide (PubChem CID 135316149) has the molecular formula C18H15FN4O2 and a molecular weight of 338.34 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide
PubChem CID135316149
Molecular FormulaC18H15FN4O2
Molecular Weight338.34 g/mol
Exact Mass338.12
IUPAC NameN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2)COC1
InChIInChI=1S/C18H15FN4O2/c19-15-10-14(6-8-20-15)23-9-7-16(22-23)21-17(24)18(11-25-12-18)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,21,22,24)
InChIKeyVRAUKNXOJMGQKT-UHFFFAOYSA-N
XLogP2.31
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide?
The IUPAC name of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide (CID 135316149) is N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide is O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2)COC1.
What is the InChIKey of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide?
The InChIKey is VRAUKNXOJMGQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O2/c19-15-10-14(6-8-20-15)23-9-7-16(22-23)21-17(24)18(11-25-12-18)13-4-2-1-3-5-13/h1-10H,11-12H2,(H,21,22,24).
What are the key properties of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide?
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide has a molecular weight of 338.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide is sourced from PubChem (CID 135316149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).