[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate

C17H18FN3O4 — CID 135370786

IUPAC[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2c(C)nn(C3CC3)c2N)c(F)c1
InChIInChI=1S/C17H18FN3O4/c1-9-15(16(19)21(20-9)10-3-4-10)17(23)25-8-14(22)12-6-5-11(24-2)7-13(12)18/h5-7,10H,3-4,8,19H2,1-2H3
InChIKeyOANIRAGOWJHGBF-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.30
Rot. Bonds6

About [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate

[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate (PubChem CID 135370786) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate
PubChem CID135370786
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate
SMILESCOc1ccc(C(=O)COC(=O)c2c(C)nn(C3CC3)c2N)c(F)c1
InChIInChI=1S/C17H18FN3O4/c1-9-15(16(19)21(20-9)10-3-4-10)17(23)25-8-14(22)12-6-5-11(24-2)7-13(12)18/h5-7,10H,3-4,8,19H2,1-2H3
InChIKeyOANIRAGOWJHGBF-UHFFFAOYSA-N
XLogP2.30
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-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

[2-(2,4-Difluorophenyl)-2-oxoethyl] 5-amino-3-ethyl-1-propylpyrazole-4-carboxylate
CID 135370777
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-3-methyl-1-(2-morpholin-4-ylethyl)pyrazole-4-carboxylate
CID 135370788
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-1-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 135370810
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-1-(2-methoxyethyl)-3-methylpyrazole-4-carboxylate
CID 135370821
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxylate
CID 135370866
[2-(4-Methoxyphenyl)-2-oxoethyl] 5-amino-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 135370900
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-1-benzyl-3-methylpyrazole-4-carboxylate
CID 135370968
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-1-cyclohexyl-3-methylpyrazole-4-carboxylate
CID 135371029
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-ethylpyrazole-4-carboxylate
CID 135371064
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-1-ethyl-3-(2-methylpropyl)pyrazole-4-carboxylate
CID 135371102
[2-(2,6-Difluorophenyl)-2-oxoethyl] 5-amino-1-(oxan-4-yl)-3-(trifluoromethyl)pyrazole-4-carboxylate
CID 135371114
[2-Oxo-2-(2,4,6-trifluorophenyl)ethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate
CID 135371222

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate?
The IUPAC name of [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate (CID 135370786) is [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate?
The canonical SMILES for [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate is COc1ccc(C(=O)COC(=O)c2c(C)nn(C3CC3)c2N)c(F)c1.
What is the InChIKey of [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate?
The InChIKey is OANIRAGOWJHGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-9-15(16(19)21(20-9)10-3-4-10)17(23)25-8-14(22)12-6-5-11(24-2)7-13(12)18/h5-7,10H,3-4,8,19H2,1-2H3.
What are the key properties of [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate?
[2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate has a molecular weight of 347.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-4-methoxyphenyl)-2-oxoethyl] 5-amino-1-cyclopropyl-3-methylpyrazole-4-carboxylate is sourced from PubChem (CID 135370786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).