ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate

C14H12F3N3O3 — CID 2814970

IUPACethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(=O)c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C14H12F3N3O3/c1-2-23-13(22)10-7-19-20(11(10)18)12(21)8-3-5-9(6-4-8)14(15,16)17/h3-7H,2,18H2,1H3
InChIKeyKPRZQPYXHRGHME-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.35
Rot. Bonds3

About ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate

ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate (PubChem CID 2814970) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate
PubChem CID2814970
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC Nameethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(=O)c2ccc(C(F)(F)F)cc2)c1N
InChIInChI=1S/C14H12F3N3O3/c1-2-23-13(22)10-7-19-20(11(10)18)12(21)8-3-5-9(6-4-8)14(15,16)17/h3-7H,2,18H2,1H3
InChIKeyKPRZQPYXHRGHME-UHFFFAOYSA-N
XLogP2.35
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate 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

ethyl 5-amino-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate
CID 937102
ethyl 5-amino-1-benzyl-1H-pyrazole-4-carboxylate
CID 785810
methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate
CID 3449798
Ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate
CID 44574654
ethyl 5-[(3-fluorobenzoyl)amino]-1-{2-[(3-fluorobenzoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 12005147
ethyl 5-amino-1-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxylate
CID 13802152
5-(4-Methyl-benzoylamino)-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
CID 719913
Ethyl 5-amino-1-benzoylpyrazole-4-carboxylate
CID 801218
methyl 3-amino-1-(2-fluorobenzoyl)-1H-pyrazole-4-carboxylate
CID 3237934
ethyl 5-[(2-fluorobenzoyl)amino]-1-{2-[(2-fluorobenzoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 6622694
ethyl 5-[(4-fluorobenzoyl)amino]-1-{2-[(4-fluorobenzoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 12005124
Ethyl 5-(2-fluorobenzamido)-1-phenyl-1H-pyrazole-4-carboxylate
CID 1240922

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate (CID 2814970) is ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C(=O)c2ccc(C(F)(F)F)cc2)c1N.
What is the InChIKey of ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate?
The InChIKey is KPRZQPYXHRGHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-2-23-13(22)10-7-19-20(11(10)18)12(21)8-3-5-9(6-4-8)14(15,16)17/h3-7H,2,18H2,1H3.
What are the key properties of ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate?
ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate has a molecular weight of 327.26 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-[4-(trifluoromethyl)benzoyl]pyrazole-4-carboxylate is sourced from PubChem (CID 2814970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).