(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate

C19H17FN2O3 — CID 8553467

IUPAC(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
SMILESCOc1ccc(COC(=O)c2ccc(-n3nccc3C)cc2)cc1F
InChIInChI=1S/C19H17FN2O3/c1-13-9-10-21-22(13)16-6-4-15(5-7-16)19(23)25-12-14-3-8-18(24-2)17(20)11-14/h3-11H,12H2,1-2H3
InChIKeyMTLLEEOADVHRAV-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.69
Rot. Bonds5

About (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate

(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate (PubChem CID 8553467) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
PubChem CID8553467
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate
SMILESCOc1ccc(COC(=O)c2ccc(-n3nccc3C)cc2)cc1F
InChIInChI=1S/C19H17FN2O3/c1-13-9-10-21-22(13)16-6-4-15(5-7-16)19(23)25-12-14-3-8-18(24-2)17(20)11-14/h3-11H,12H2,1-2H3
InChIKeyMTLLEEOADVHRAV-UHFFFAOYSA-N
XLogP3.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)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

N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
(3-fluoro-4-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7752969
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethoxybenzoate
CID 2629800
(3-fluoro-4-methoxyphenyl)methyl 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 7913575
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984
(3-fluoro-4-methoxyphenyl)methyl 3-hydroxybenzoate
CID 2627760
methyl 2-methyl-5-[[4-(5-methylpyrazol-1-yl)benzoyl]oxymethyl]furan-3-carboxylate
CID 8553043
(3-fluoro-4-methoxyphenyl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7175485
(3-fluoro-4-methoxyphenyl)methyl 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8576074
(3-fluoro-4-methoxyphenyl)methyl 4-pyrrolidin-1-ylsulfonylbenzoate
CID 2630914
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
[2-(5-acetamido-2-methoxyanilino)-2-oxoethyl] 4-(5-methylpyrazol-1-yl)benzoate
CID 35309859

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate (CID 8553467) is (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate is COc1ccc(COC(=O)c2ccc(-n3nccc3C)cc2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate?
The InChIKey is MTLLEEOADVHRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-13-9-10-21-22(13)16-6-4-15(5-7-16)19(23)25-12-14-3-8-18(24-2)17(20)11-14/h3-11H,12H2,1-2H3.
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate?
(3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate has a molecular weight of 340.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 4-(5-methylpyrazol-1-yl)benzoate is sourced from PubChem (CID 8553467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).