5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C12H12FN3O2 — CID 79524336

IUPAC5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(F)ccc2O)cn1
InChIInChI=1S/C12H12FN3O2/c1-16-7-8(6-15-16)5-14-12(18)10-4-9(13)2-3-11(10)17/h2-4,6-7,17H,5H2,1H3,(H,14,18)
InChIKeyADVTXPDGKARJTD-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.19
Rot. Bonds3

About 5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide

5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 79524336) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID79524336
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Name5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCn1cc(CNC(=O)c2cc(F)ccc2O)cn1
InChIInChI=1S/C12H12FN3O2/c1-16-7-8(6-15-16)5-14-12(18)10-4-9(13)2-3-11(10)17/h2-4,6-7,17H,5H2,1H3,(H,14,18)
InChIKeyADVTXPDGKARJTD-UHFFFAOYSA-N
XLogP1.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 6175261
3-Fluoro-2-hydroxy-5-(1-methylpyrazol-4-yl)benzaldehyde
CID 59599806
[1-(2-Fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
CID 4827601
[4-(2-Hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone
CID 3914259
2-hydroxy-4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 31953145
2-hydroxy-5-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 37394414
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-hydroxybenzamide
CID 47076872
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 47466877
3-fluoro-2-methoxy-N-[1-(1-methyl-1H-pyrazol-4-yl)ethyl]benzamide
CID 56748025
N-[2-(dimethylamino)-2-(1-methylpyrazol-4-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 72010284
2-[1-(2-Hydroxy-5-methylbenzoyl)pyrrolidin-2-yl]-1-(1-methylpyrazol-4-yl)ethanone
CID 84593854
5-bromo-N-{[(5P)-2-fluoro-5-(1-methyl-1H-pyrazol-4-yl)phenyl]methyl}-2-hydroxybenzamide
CID 170513368

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 79524336) is 5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide is Cn1cc(CNC(=O)c2cc(F)ccc2O)cn1.
What is the InChIKey of 5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is ADVTXPDGKARJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-16-7-8(6-15-16)5-14-12(18)10-4-9(13)2-3-11(10)17/h2-4,6-7,17H,5H2,1H3,(H,14,18).
What are the key properties of 5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
5-fluoro-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 249.25 g/mol, XLogP of 1.19, 3 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-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 79524336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).