2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide

C17H22FN3O2 — CID 71846287

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NC(C)C(O)c2cccc(F)c2)n1
InChIInChI=1S/C17H22FN3O2/c1-10-8-11(2)21(20-10)13(4)17(23)19-12(3)16(22)14-6-5-7-15(18)9-14/h5-9,12-13,16,22H,1-4H3,(H,19,23)
InChIKeyKBFVOXPZYPLIMU-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.44
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide (PubChem CID 71846287) has the molecular formula C17H22FN3O2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide
PubChem CID71846287
Molecular FormulaC17H22FN3O2
Molecular Weight319.38 g/mol
Exact Mass319.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide
SMILESCc1cc(C)n(C(C)C(=O)NC(C)C(O)c2cccc(F)c2)n1
InChIInChI=1S/C17H22FN3O2/c1-10-8-11(2)21(20-10)13(4)17(23)19-12(3)16(22)14-6-5-7-15(18)9-14/h5-9,12-13,16,22H,1-4H3,(H,19,23)
InChIKeyKBFVOXPZYPLIMU-UHFFFAOYSA-N
XLogP2.44
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide (CID 71846287) is 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide is Cc1cc(C)n(C(C)C(=O)NC(C)C(O)c2cccc(F)c2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide?
The InChIKey is KBFVOXPZYPLIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2/c1-10-8-11(2)21(20-10)13(4)17(23)19-12(3)16(22)14-6-5-7-15(18)9-14/h5-9,12-13,16,22H,1-4H3,(H,19,23).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide has a molecular weight of 319.38 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[1-(3-fluorophenyl)-1-hydroxypropan-2-yl]propanamide is sourced from PubChem (CID 71846287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).