N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide

C17H20FN3O2 — CID 71994287

IUPACN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)C1CCCOC1
InChIInChI=1S/C17H20FN3O2/c18-14-3-5-16(6-4-14)21-10-8-15(20-21)7-9-19-17(22)13-2-1-11-23-12-13/h3-6,8,10,13H,1-2,7,9,11-12H2,(H,19,22)
InChIKeyFGYSOASEIWXMHC-UHFFFAOYSA-N
MW317.36 g/mol
LogP2.10
Rot. Bonds5

About N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide

N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide (PubChem CID 71994287) has the molecular formula C17H20FN3O2 and a molecular weight of 317.36 g/mol. Its IUPAC name is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide
PubChem CID71994287
Molecular FormulaC17H20FN3O2
Molecular Weight317.36 g/mol
Exact Mass317.15
IUPAC NameN-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide
SMILESO=C(NCCc1ccn(-c2ccc(F)cc2)n1)C1CCCOC1
InChIInChI=1S/C17H20FN3O2/c18-14-3-5-16(6-4-14)21-10-8-15(20-21)7-9-19-17(22)13-2-1-11-23-12-13/h3-6,8,10,13H,1-2,7,9,11-12H2,(H,19,22)
InChIKeyFGYSOASEIWXMHC-UHFFFAOYSA-N
XLogP2.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide?
The IUPAC name of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide (CID 71994287) is N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide is O=C(NCCc1ccn(-c2ccc(F)cc2)n1)C1CCCOC1.
What is the InChIKey of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide?
The InChIKey is FGYSOASEIWXMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O2/c18-14-3-5-16(6-4-14)21-10-8-15(20-21)7-9-19-17(22)13-2-1-11-23-12-13/h3-6,8,10,13H,1-2,7,9,11-12H2,(H,19,22).
What are the key properties of N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide?
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]oxane-3-carboxamide is sourced from PubChem (CID 71994287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).