N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide

C13H14FN3O2 — CID 103910077

IUPACN-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H14FN3O2/c1-3-10-11(7-17(2)16-10)15-13(19)9-5-4-8(14)6-12(9)18/h4-7,18H,3H2,1-2H3,(H,15,19)
InChIKeyAGRNJLDNVRCIGK-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.08
Rot. Bonds3

About N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide

N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide (PubChem CID 103910077) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
PubChem CID103910077
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC NameN-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide
SMILESCCc1nn(C)cc1NC(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H14FN3O2/c1-3-10-11(7-17(2)16-10)15-13(19)9-5-4-8(14)6-12(9)18/h4-7,18H,3H2,1-2H3,(H,15,19)
InChIKeyAGRNJLDNVRCIGK-UHFFFAOYSA-N
XLogP2.08
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-hydroxybenzamide
CID 107463401
2-amino-N-(3-ethyl-1-methylpyrazol-4-yl)-3-fluorobenzamide
CID 107463012
3-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluorobenzamide
CID 106548195
N-(3-ethyl-1-methylpyrazol-4-yl)-2-iodobenzamide
CID 113349963
N-(3-ethyl-1-methylpyrazol-4-yl)-2-fluoro-5-nitrobenzamide
CID 107462590
4-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxybenzamide
CID 103910780
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylbenzamide
CID 107464719
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103909985
5-bromo-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 103909989
N-(4-fluoro-2-methylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 35523427
N-(3-ethyl-1-methylpyrazol-4-yl)-3-hydroxy-4-methoxybenzamide
CID 103910805
3-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-methylbenzamide
CID 100703491

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide (CID 103910077) is N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide is CCc1nn(C)cc1NC(=O)c1ccc(F)cc1O.
What is the InChIKey of N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide?
The InChIKey is AGRNJLDNVRCIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-3-10-11(7-17(2)16-10)15-13(19)9-5-4-8(14)6-12(9)18/h4-7,18H,3H2,1-2H3,(H,15,19).
What are the key properties of N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide?
N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide has a molecular weight of 263.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1-methylpyrazol-4-yl)-4-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 103910077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).