(2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate

C18H14F2N2O2 — CID 44537803

IUPAC(2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate
SMILESCc1cc(OC(=O)c2c(F)cccc2F)n(Cc2ccccc2)n1
InChIInChI=1S/C18H14F2N2O2/c1-12-10-16(22(21-12)11-13-6-3-2-4-7-13)24-18(23)17-14(19)8-5-9-15(17)20/h2-10H,11H2,1H3
InChIKeyBIXANJDUWZVRNF-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.74
Rot. Bonds4

About (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate

(2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate (PubChem CID 44537803) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate.

Molecular Properties

Compound Name(2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate
PubChem CID44537803
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name(2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate
SMILESCc1cc(OC(=O)c2c(F)cccc2F)n(Cc2ccccc2)n1
InChIInChI=1S/C18H14F2N2O2/c1-12-10-16(22(21-12)11-13-6-3-2-4-7-13)24-18(23)17-14(19)8-5-9-15(17)20/h2-10H,11H2,1H3
InChIKeyBIXANJDUWZVRNF-UHFFFAOYSA-N
XLogP3.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate 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

Fenpyroximate
CID 9576412
Fenpyroximate, (Z)-
CID 6002001
Benzoic acid, 4-(1,3-dimethyl-5-phenoxy-1H-pyrazol-4-yl)methyleneaminooxymethyl-, 1,1-dimethylethyl ester
CID 107760
(Z)-Fenpyroximate (free acid)
CID 101126861
ethyl 5-(benzoyloxy)-1-phenyl-1H-pyrazole-3-carboxylate
CID 1251498
1-[[2-[(2,4-Difluorophenyl)methoxy]-5-fluorophenyl]methyl]-5-methylpyrazole-3-carboxylic acid
CID 11406237
4-methylphenyl 3,5-dimethyl-1-phenyl-1H-pyrazole-4-carboxylate
CID 2740670
[2-[5-[[2-[(E)-1,3-dimethoxy-3-oxoprop-1-en-2-yl]phenyl]methoxy]-1-methylpyrazol-3-yl]phenyl] 4-fluorobenzoate
CID 45258889
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-fluorobenzoate
CID 7202265
[2-(3-Fluorophenyl)-5-propyl-pyrazol-3-yl] 2-phenylbutanoate
CID 11966067
[2-(3-Methylphenyl)-5-phenyl-pyrazol-3-yl] decanoate
CID 11966068
[2-(4-Fluorophenyl)-5-methylpyrazol-3-yl] 2-(1-acetyloxypentyl)benzoate
CID 122186519

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate?
The IUPAC name of (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate (CID 44537803) is (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate.
What is the SMILES notation for (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate?
The canonical SMILES for (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate is Cc1cc(OC(=O)c2c(F)cccc2F)n(Cc2ccccc2)n1.
What is the InChIKey of (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate?
The InChIKey is BIXANJDUWZVRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-12-10-16(22(21-12)11-13-6-3-2-4-7-13)24-18(23)17-14(19)8-5-9-15(17)20/h2-10H,11H2,1H3.
What are the key properties of (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate?
(2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate has a molecular weight of 328.32 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-5-methylpyrazol-3-yl) 2,6-difluorobenzoate is sourced from PubChem (CID 44537803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).