methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

C12H10F3N3O2 — CID 107346344

IUPACmethyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C12H10F3N3O2/c1-20-11(19)10-9(16)6-18(17-10)8-4-2-7(3-5-8)12(13,14)15/h2-6H,16H2,1H3
InChIKeyYQROHGLMWRQZCR-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.26
Rot. Bonds2

About methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate

methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate (PubChem CID 107346344) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
PubChem CID107346344
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Namemethyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)cc1N
InChIInChI=1S/C12H10F3N3O2/c1-20-11(19)10-9(16)6-18(17-10)8-4-2-7(3-5-8)12(13,14)15/h2-6H,16H2,1H3
InChIKeyYQROHGLMWRQZCR-UHFFFAOYSA-N
XLogP2.26
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-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

methyl 4-amino-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 107346221
methyl 4-amino-1-[4-(methylsulfamoyl)phenyl]pyrazole-3-carboxylate
CID 107346272
methyl 4-amino-1-(2-carbamoyl-4-pyridinyl)pyrazole-3-carboxylate
CID 107346365
methyl 4-amino-1-(3-chloro-4-cyanophenyl)pyrazole-3-carboxylate
CID 107346194
methyl 4-(4-amino-3-carbamoylpyrazol-1-yl)pyridine-2-carboxylate
CID 107346534
methyl 4-amino-1-(2,2,2-trifluoroethyl)pyrazole-3-carboxylate;hydrochloride
CID 146155798
methyl 4-amino-1-(2-carbamoylphenyl)pyrazole-3-carboxylate
CID 107346310
methyl 4-amino-1-tert-butylpyrazole-3-carboxylate
CID 122445443
methyl 4-hydroxy-1-(4-methoxycarbonylphenyl)pyrazole-3-carboxylate
CID 4737915
methyl 4-amino-1-(4-methyl-3-pyridinyl)pyrazole-3-carboxylate
CID 107346201
methyl 6-(4-amino-3-methoxycarbonylpyrazol-1-yl)pyrazine-2-carboxylate
CID 107346290
methyl 5-methyl-1-[4-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylate
CID 56661570

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate (CID 107346344) is methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate is COC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)cc1N.
What is the InChIKey of methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
The InChIKey is YQROHGLMWRQZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-20-11(19)10-9(16)6-18(17-10)8-4-2-7(3-5-8)12(13,14)15/h2-6H,16H2,1H3.
What are the key properties of methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate?
methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate has a molecular weight of 285.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carboxylate is sourced from PubChem (CID 107346344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).