N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide

C12H12FN3O2 — CID 112697504

IUPACN-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
SMILESCCc1cc(NC(=O)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C12H12FN3O2/c1-2-8-6-11(16-15-8)14-12(18)9-5-7(13)3-4-10(9)17/h3-6,17H,2H2,1H3,(H2,14,15,16,18)
InChIKeyQNTXNUCJKUFMIL-UHFFFAOYSA-N
MW249.25 g/mol
LogP2.07
Rot. Bonds3

About N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide

N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide (PubChem CID 112697504) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
PubChem CID112697504
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC NameN-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide
SMILESCCc1cc(NC(=O)c2cc(F)ccc2O)n[nH]1
InChIInChI=1S/C12H12FN3O2/c1-2-8-6-11(16-15-8)14-12(18)9-5-7(13)3-4-10(9)17/h3-6,17H,2H2,1H3,(H2,14,15,16,18)
InChIKeyQNTXNUCJKUFMIL-UHFFFAOYSA-N
XLogP2.07
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-ethyl-1H-pyrazol-3-yl)-2-hydroxy-5-methoxybenzamide
CID 112687144
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4-fluoro-2-methyl-N-(5-propyl-1H-pyrazol-3-yl)benzamide
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2-amino-N-(5-ethyl-1H-pyrazol-3-yl)-5-hydroxybenzamide
CID 107075978
2-amino-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)benzamide
CID 63819395
1-(2,4-difluorophenyl)-3-(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620412
4-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-2-methylbenzamide
CID 112689151
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
CID 113259455
N-(5-ethyl-1H-pyrazol-3-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 47423364
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-fluorobenzamide
CID 113263522
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)benzamide
CID 115744341

Frequently Asked Questions

What is the IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide (CID 112697504) is N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide is CCc1cc(NC(=O)c2cc(F)ccc2O)n[nH]1.
What is the InChIKey of N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is QNTXNUCJKUFMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-2-8-6-11(16-15-8)14-12(18)9-5-7(13)3-4-10(9)17/h3-6,17H,2H2,1H3,(H2,14,15,16,18).
What are the key properties of N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide?
N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 249.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethyl-1H-pyrazol-3-yl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 112697504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).