4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C13H14FN3O2 — CID 103829742

IUPAC4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H14FN3O2/c1-9(8-17-6-2-5-15-17)16-13(19)11-4-3-10(14)7-12(11)18/h2-7,9,18H,8H2,1H3,(H,16,19)
InChIKeyGKTITQUCEDFOQA-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.55
Rot. Bonds4

About 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 103829742) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID103829742
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H14FN3O2/c1-9(8-17-6-2-5-15-17)16-13(19)11-4-3-10(14)7-12(11)18/h2-7,9,18H,8H2,1H3,(H,16,19)
InChIKeyGKTITQUCEDFOQA-UHFFFAOYSA-N
XLogP1.55
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 104916779
2,4-diamino-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459775
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
4-bromo-N-(1-pyrazol-1-ylpropan-2-yl)-2-sulfanylbenzamide
CID 107024915
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
5-fluoro-2-(1-pyrazol-1-ylpropan-2-ylamino)benzoic acid
CID 63672825
N-[1-(diethylamino)propan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 103829876
2-(ethylamino)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62178733
3-(4-fluorophenyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]propanamide
CID 38610317
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 103829742) is 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1ccc(F)cc1O.
What is the InChIKey of 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is GKTITQUCEDFOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-9(8-17-6-2-5-15-17)16-13(19)11-4-3-10(14)7-12(11)18/h2-7,9,18H,8H2,1H3,(H,16,19).
What are the key properties of 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide has a molecular weight of 263.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 103829742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).