5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide

C15H18FN3O2 — CID 71860641

IUPAC5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide
SMILESCC(C)n1ccc(CCNC(=O)c2cc(F)ccc2O)n1
InChIInChI=1S/C15H18FN3O2/c1-10(2)19-8-6-12(18-19)5-7-17-15(21)13-9-11(16)3-4-14(13)20/h3-4,6,8-10,20H,5,7H2,1-2H3,(H,17,21)
InChIKeyXDFMKUIIKCTMLY-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.28
Rot. Bonds5

About 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide

5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide (PubChem CID 71860641) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide
PubChem CID71860641
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide
SMILESCC(C)n1ccc(CCNC(=O)c2cc(F)ccc2O)n1
InChIInChI=1S/C15H18FN3O2/c1-10(2)19-8-6-12(18-19)5-7-17-15(21)13-9-11(16)3-4-14(13)20/h3-4,6,8-10,20H,5,7H2,1-2H3,(H,17,21)
InChIKeyXDFMKUIIKCTMLY-UHFFFAOYSA-N
XLogP2.28
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide (CID 71860641) is 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide is CC(C)n1ccc(CCNC(=O)c2cc(F)ccc2O)n1.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide?
The InChIKey is XDFMKUIIKCTMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10(2)19-8-6-12(18-19)5-7-17-15(21)13-9-11(16)3-4-14(13)20/h3-4,6,8-10,20H,5,7H2,1-2H3,(H,17,21).
What are the key properties of 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide?
5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide has a molecular weight of 291.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-[2-(1-propan-2-ylpyrazol-3-yl)ethyl]benzamide is sourced from PubChem (CID 71860641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).