3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

C13H14FN3O2 — CID 102810762

IUPAC3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C13H14FN3O2/c1-3-11-9(7-17(2)16-11)13(19)15-8-4-5-12(18)10(14)6-8/h4-7,18H,3H2,1-2H3,(H,15,19)
InChIKeyYLJGIFBTIYQPOS-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.08
Rot. Bonds3

About 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 102810762) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID102810762
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1ccc(O)c(F)c1
InChIInChI=1S/C13H14FN3O2/c1-3-11-9(7-17(2)16-11)13(19)15-8-4-5-12(18)10(14)6-8/h4-7,18H,3H2,1-2H3,(H,15,19)
InChIKeyYLJGIFBTIYQPOS-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-{3-[1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl]propanamido}benzoic acid
CID 24741307
2-[[3-[1-(4-Hydroxyphenyl)-5-methylpyrazol-4-yl]-2-methylpropanoyl]amino]cyclohexene-1-carboxylic acid
CID 15986929
(R)-2-(3-(1-(4-hydroxyphenyl)-5-methyl-1H-pyrazol-4-yl)-2-methylpropanamido)cyclohex-1-enecarboxylic acid
CID 44586212
N-(4-methoxyphenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811267
1,5-dimethyl-N-(4-phenoxyphenyl)-1H-pyrazole-4-carboxamide
CID 16614321
N-(2-hydroxyphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25595919
1-(4-fluorophenyl)-5-methyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 33949844
(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127050793
(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(4-hydroxyanilino)prop-2-en-1-one
CID 127051687
N-(4-chloro-2-hydroxy-phenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 71579623
1-[1-(4-Hydroxyphenyl)-5-methylpyrazol-4-yl]butan-1-one
CID 118711198
N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 28742932

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (CID 102810762) is 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)Nc1ccc(O)c(F)c1.
What is the InChIKey of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is YLJGIFBTIYQPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-3-11-9(7-17(2)16-11)13(19)15-8-4-5-12(18)10(14)6-8/h4-7,18H,3H2,1-2H3,(H,15,19).
What are the key properties of 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide 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 3-ethyl-N-(3-fluoro-4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 102810762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).