N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C13H12F3N3O2 — CID 176913247

IUPACN-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(-c2ccc(O)cc2)c1C(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c1-2-17-12(21)10-7-18-19(11(10)13(14,15)16)8-3-5-9(20)6-4-8/h3-7,20H,2H2,1H3,(H,17,21)
InChIKeyCAOZRKNAIUUGQM-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.35
Rot. Bonds3

About N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 176913247) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID176913247
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC NameN-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCCNC(=O)c1cnn(-c2ccc(O)cc2)c1C(F)(F)F
InChIInChI=1S/C13H12F3N3O2/c1-2-17-12(21)10-7-18-19(11(10)13(14,15)16)8-3-5-9(20)6-4-8/h3-7,20H,2H2,1H3,(H,17,21)
InChIKeyCAOZRKNAIUUGQM-UHFFFAOYSA-N
XLogP2.35
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
1-(4-Methoxyphenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
CID 5169045
1-(4-methoxyphenyl)-5-methyl-N-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 44327058
1-(4-Methoxyphenyl)-N-(3-Sulfanylpropyl)-5-(Trifluoromethyl)-1h-Pyrazole-4-Carboxamide
CID 131704455
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-cyclopentyl-1-(3-hydroxyphenyl)pyrazole-4-carboxamide
CID 172443737
N-(3-amino-5-chlorophenyl)-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 146167536

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 176913247) is N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is CCNC(=O)c1cnn(-c2ccc(O)cc2)c1C(F)(F)F.
What is the InChIKey of N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is CAOZRKNAIUUGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-2-17-12(21)10-7-18-19(11(10)13(14,15)16)8-3-5-9(20)6-4-8/h3-7,20H,2H2,1H3,(H,17,21).
What are the key properties of N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 176913247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).