methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate

C12H12FN3O2 — CID 165123998

IUPACmethyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(N)c(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C12H12FN3O2/c1-16-11(12(17)18-2)9(14)10(15-16)7-3-5-8(13)6-4-7/h3-6H,14H2,1-2H3
InChIKeyYLOXAJHXJSRTMF-UHFFFAOYSA-N
MW249.25 g/mol
LogP1.60
Rot. Bonds2

About methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate

methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate (PubChem CID 165123998) has the molecular formula C12H12FN3O2 and a molecular weight of 249.25 g/mol. Its IUPAC name is methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
PubChem CID165123998
Molecular FormulaC12H12FN3O2
Molecular Weight249.25 g/mol
Exact Mass249.09
IUPAC Namemethyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
SMILESCOC(=O)c1c(N)c(-c2ccc(F)cc2)nn1C
InChIInChI=1S/C12H12FN3O2/c1-16-11(12(17)18-2)9(14)10(15-16)7-3-5-8(13)6-4-7/h3-6H,14H2,1-2H3
InChIKeyYLOXAJHXJSRTMF-UHFFFAOYSA-N
XLogP1.60
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-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-3-(4-fluorophenyl)-1,2-thiazole-5-carboxylate
CID 13073191
methyl 4-bromo-3-(4-chlorophenyl)-1-methylpyrazole-5-carboxylate
CID 71668549
methyl 4-(4-fluorophenyl)-1-methylpyrazole-3-carboxylate
CID 154672739
methyl 5-amino-3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988420
methyl 2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 11807750
methyl 3-amino-6-(2,6-dimethyl-4-pyridinyl)-5-(4-fluorophenyl)pyrazine-2-carboxylate
CID 155209194
3-amino-5-(4-fluorophenyl)-1-methylpyrazole-4-carboxylic acid
CID 135370970
methyl 4-amino-2-(4-fluorophenyl)benzoate
CID 18476027
methyl 3-amino-4-cyano-1-[2-(4-fluorophenyl)phenyl]pyrrole-2-carboxylate
CID 168546760
methyl 4-[4-(aminomethyl)phenyl]-1-methylpyrazole-5-carboxylate
CID 164928869
ethyl 5-(4-fluorophenyl)-1,4-dimethylpyrazole-3-carboxylate
CID 68709761
methyl 5-amino-1-[2-(4-fluorophenyl)ethyl]imidazole-4-carboxylate
CID 103544587

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate?
The IUPAC name of methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate (CID 165123998) is methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate is COC(=O)c1c(N)c(-c2ccc(F)cc2)nn1C.
What is the InChIKey of methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate?
The InChIKey is YLOXAJHXJSRTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O2/c1-16-11(12(17)18-2)9(14)10(15-16)7-3-5-8(13)6-4-7/h3-6H,14H2,1-2H3.
What are the key properties of methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate?
methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate has a molecular weight of 249.25 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate is sourced from PubChem (CID 165123998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).