3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

C14H13F6N3O3 — CID 59014419

IUPAC3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESCCC1=NN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C14H13F6N3O3/c1-2-8-7-12(25,13(15,16)17)23(22-8)11(24)21-9-3-5-10(6-4-9)26-14(18,19)20/h3-6,25H,2,7H2,1H3,(H,21,24)
InChIKeyPRNNGPVEMXZYEF-UHFFFAOYSA-N
MW385.26 g/mol
LogP3.84
Rot. Bonds3

About 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide

3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (PubChem CID 59014419) has the molecular formula C14H13F6N3O3 and a molecular weight of 385.26 g/mol. Its IUPAC name is 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
PubChem CID59014419
Molecular FormulaC14H13F6N3O3
Molecular Weight385.26 g/mol
Exact Mass385.09
IUPAC Name3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide
SMILESCCC1=NN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C14H13F6N3O3/c1-2-8-7-12(25,13(15,16)17)23(22-8)11(24)21-9-3-5-10(6-4-9)26-14(18,19)20/h3-6,25H,2,7H2,1H3,(H,21,24)
InChIKeyPRNNGPVEMXZYEF-UHFFFAOYSA-N
XLogP3.84
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.26
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 7285638
[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 829909
[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methoxyphenyl)methanone
CID 2869410
methyl 3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
CID 3152031
cyclopropyl-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 700997
1-[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-2-phenoxyethanone
CID 799866
2-(3,4-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 631282
[(5S)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-iodophenyl)methanone
CID 1050806
2-(3,5-dimethylphenoxy)-1-[3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]ethanone
CID 3147030
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
[(5R)-3-ethyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methylfuran-3-yl)methanone
CID 917522
(3S,5R)-3,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 51944394

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The IUPAC name of 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide (CID 59014419) is 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide.
What is the SMILES notation for 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The canonical SMILES for 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is CCC1=NN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C(O)(C(F)(F)F)C1.
What is the InChIKey of 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
The InChIKey is PRNNGPVEMXZYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6N3O3/c1-2-8-7-12(25,13(15,16)17)23(22-8)11(24)21-9-3-5-10(6-4-9)26-14(18,19)20/h3-6,25H,2,7H2,1H3,(H,21,24).
What are the key properties of 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide?
3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide has a molecular weight of 385.26 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-hydroxy-N-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 59014419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).