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

C13H14FN3O2 — CID 79532434

IUPAC5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H14FN3O2/c1-16(7-9-6-15-17(2)8-9)13(19)11-5-10(14)3-4-12(11)18/h3-6,8,18H,7H2,1-2H3
InChIKeyJFWMXNZROMVGGK-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.54
Rot. Bonds3

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

5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 79532434) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID79532434
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H14FN3O2/c1-16(7-9-6-15-17(2)8-9)13(19)11-5-10(14)3-4-12(11)18/h3-6,8,18H,7H2,1-2H3
InChIKeyJFWMXNZROMVGGK-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
CID 4792887
(E)-3-(1,5-dimethylpyrazol-4-yl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 6175261
[3-(Dimethylamino)phenyl]-[4-(5-fluoro-2-hydroxybenzoyl)pyrazol-1-yl]methanone
CID 2999309
Tert-butyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
CID 4792870
3-Fluoro-2-hydroxy-5-(1-methylpyrazol-4-yl)benzaldehyde
CID 59599806
2-{1-[(3R,6R)-1-{[2-(Difluoromethoxy)phenyl]carbonyl}-6-methylpiperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121314187
2-{1-[(3R,6R)-6-Methyl-1-{[2-(trifluoromethoxy)phenyl]carbonyl} piperidin-3-yl]-1H-pyrazol-4-yl}propan-2-ol
CID 121344813
[1-(2-Fluorobenzoyl)pyrazol-4-yl]-(2-hydroxyphenyl)methanone
CID 4827601
[4-(2-Hydroxybenzoyl)pyrazol-1-yl]-phenylmethanone
CID 3914259
[4-(2-Hydroxybenzoyl)pyrazol-1-yl]-(4-hydroxyphenyl)methanone
CID 2537626
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 79532434) is 5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1cc(F)ccc1O.
What is the InChIKey of 5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is JFWMXNZROMVGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-16(7-9-6-15-17(2)8-9)13(19)11-5-10(14)3-4-12(11)18/h3-6,8,18H,7H2,1-2H3.
What are the key properties of 5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 263.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-hydroxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 79532434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).