methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate

C15H17FN2O2 — CID 103864158

IUPACmethyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2nc(C)c(C)c2C)cc1F
InChIInChI=1S/C15H17FN2O2/c1-9-10(2)17-18(11(9)3)8-12-5-6-13(14(16)7-12)15(19)20-4/h5-7H,8H2,1-4H3
InChIKeyOMOAZOJKYWXUEX-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.78
Rot. Bonds3

About methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate

methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate (PubChem CID 103864158) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate
PubChem CID103864158
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Namemethyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate
SMILESCOC(=O)c1ccc(Cn2nc(C)c(C)c2C)cc1F
InChIInChI=1S/C15H17FN2O2/c1-9-10(2)17-18(11(9)3)8-12-5-6-13(14(16)7-12)15(19)20-4/h5-7H,8H2,1-4H3
InChIKeyOMOAZOJKYWXUEX-UHFFFAOYSA-N
XLogP2.78
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate 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 2-fluoro-4-[(4-methyl-5-oxo-1,2,4-triazol-1-yl)methyl]benzoate
CID 113340195
methyl 4-[(2,6-dioxopiperidin-1-yl)methyl]-2-fluorobenzoate
CID 106698803
2-fluoro-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzonitrile
CID 107881978
methyl 4-[(2,5-dioxopyrrolidin-1-yl)methyl]-2-fluorobenzoate
CID 113254616
methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate
CID 106698789
methyl 2-fluoro-4-[(4-methyl-2-oxo-1-pyridinyl)methyl]benzoate
CID 103749426
methyl 2-fluoro-4-[(2-oxoazepan-1-yl)methyl]benzoate
CID 106698768
methyl 2-fluoro-4-[(4-hydroxypiperidin-1-yl)methyl]benzoate
CID 103749166
methyl 4-[(2,5-dimethylpiperidin-1-yl)methyl]-2-fluorobenzoate
CID 103749510
N'-hydroxy-2-methoxy-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzenecarboximidamide
CID 106790205
methyl 4-(2-bromoethyl)-2-fluorobenzoate
CID 174467510
4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzohydrazide
CID 55214651

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate?
The IUPAC name of methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate (CID 103864158) is methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate?
The canonical SMILES for methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate is COC(=O)c1ccc(Cn2nc(C)c(C)c2C)cc1F.
What is the InChIKey of methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate?
The InChIKey is OMOAZOJKYWXUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-9-10(2)17-18(11(9)3)8-12-5-6-13(14(16)7-12)15(19)20-4/h5-7H,8H2,1-4H3.
What are the key properties of methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate?
methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate has a molecular weight of 276.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]benzoate is sourced from PubChem (CID 103864158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).