N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide

C15H14FN3O2 — CID 65433321

IUPACN-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(C#CCO)c(F)c1)n1cccn1
InChIInChI=1S/C15H14FN3O2/c1-11(19-8-3-7-17-19)15(21)18-13-6-5-12(4-2-9-20)14(16)10-13/h3,5-8,10-11,20H,9H2,1H3,(H,18,21)
InChIKeyXRHNDTGSNVGJNP-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.57
Rot. Bonds3

About N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide

N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide (PubChem CID 65433321) has the molecular formula C15H14FN3O2 and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide
PubChem CID65433321
Molecular FormulaC15H14FN3O2
Molecular Weight287.29 g/mol
Exact Mass287.11
IUPAC NameN-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide
SMILESCC(C(=O)Nc1ccc(C#CCO)c(F)c1)n1cccn1
InChIInChI=1S/C15H14FN3O2/c1-11(19-8-3-7-17-19)15(21)18-13-6-5-12(4-2-9-20)14(16)10-13/h3,5-8,10-11,20H,9H2,1H3,(H,18,21)
InChIKeyXRHNDTGSNVGJNP-UHFFFAOYSA-N
XLogP1.57
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide (CID 65433321) is N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide is CC(C(=O)Nc1ccc(C#CCO)c(F)c1)n1cccn1.
What is the InChIKey of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is XRHNDTGSNVGJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O2/c1-11(19-8-3-7-17-19)15(21)18-13-6-5-12(4-2-9-20)14(16)10-13/h3,5-8,10-11,20H,9H2,1H3,(H,18,21).
What are the key properties of N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide?
N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 287.29 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 65433321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).