2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

C13H14FN3O2 — CID 104916779

IUPAC2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H14FN3O2/c1-9(8-17-7-3-6-15-17)16-13(19)12-10(14)4-2-5-11(12)18/h2-7,9,18H,8H2,1H3,(H,16,19)
InChIKeyWUXKSNJFYDHNDV-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.55
Rot. Bonds4

About 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide

2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (PubChem CID 104916779) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
PubChem CID104916779
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
SMILESCC(Cn1cccn1)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C13H14FN3O2/c1-9(8-17-7-3-6-15-17)16-13(19)12-10(14)4-2-5-11(12)18/h2-7,9,18H,8H2,1H3,(H,16,19)
InChIKeyWUXKSNJFYDHNDV-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-amino-6-methyl-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 61459501
4-fluoro-2-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103829742
1-(2-fluorophenyl)-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 47027605
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016869
N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
3,5-dihydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103891981
4-(aminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 43695373
2-(1-pyrazol-1-ylpropan-2-ylcarbamoyl)benzoic acid
CID 60940603
N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 104917326
3-fluoro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 62680932
3-bromo-2-chloro-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 103994641
2-amino-5-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 107074869

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide (CID 104916779) is 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is CC(Cn1cccn1)NC(=O)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
The InChIKey is WUXKSNJFYDHNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-9(8-17-7-3-6-15-17)16-13(19)12-10(14)4-2-5-11(12)18/h2-7,9,18H,8H2,1H3,(H,16,19).
What are the key properties of 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide?
2-fluoro-6-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 2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 104916779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).