1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole

C18H16F2N2O — CID 55604203

IUPAC1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(COc3ccc(F)cc3F)cc2)n1
InChIInChI=1S/C18H16F2N2O/c1-12-9-13(2)22(21-12)16-6-3-14(4-7-16)11-23-18-8-5-15(19)10-17(18)20/h3-10H,11H2,1-2H3
InChIKeyXXUAQQORFWVPFT-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.35
Rot. Bonds4

About 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole

1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole (PubChem CID 55604203) has the molecular formula C18H16F2N2O and a molecular weight of 314.34 g/mol. Its IUPAC name is 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole
PubChem CID55604203
Molecular FormulaC18H16F2N2O
Molecular Weight314.34 g/mol
Exact Mass314.12
IUPAC Name1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole
SMILESCc1cc(C)n(-c2ccc(COc3ccc(F)cc3F)cc2)n1
InChIInChI=1S/C18H16F2N2O/c1-12-9-13(2)22(21-12)16-6-3-14(4-7-16)11-23-18-8-5-15(19)10-17(18)20/h3-10H,11H2,1-2H3
InChIKeyXXUAQQORFWVPFT-UHFFFAOYSA-N
XLogP4.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole 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

3,5-dimethyl-1-[4-[(2,3,5,6-tetrafluorophenoxy)methyl]phenyl]pyrazole
CID 112819165
3,5-dimethyl-1-[4-[(4-phenylphenoxy)methyl]phenyl]pyrazole
CID 8003571
N-[[4-[(2,4-difluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 62450377
1-[4-[2-(2-fluoro-4-methylphenyl)ethyl]phenyl]-3,5-dimethylpyrazole
CID 161390524
2-[4-[(2,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 105344812
magnesium;2,4-difluoro-1-(phenylmethoxy)benzene;bromide
CID 91656518
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
2-[(2,4-difluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 80654762
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
N-[1-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 71873153
2-[5-[(2,4-difluorophenoxy)methyl]furan-2-yl]-5-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19552523
3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 112805936

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole?
The IUPAC name of 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole (CID 55604203) is 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole.
What is the SMILES notation for 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole?
The canonical SMILES for 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole is Cc1cc(C)n(-c2ccc(COc3ccc(F)cc3F)cc2)n1.
What is the InChIKey of 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole?
The InChIKey is XXUAQQORFWVPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O/c1-12-9-13(2)22(21-12)16-6-3-14(4-7-16)11-23-18-8-5-15(19)10-17(18)20/h3-10H,11H2,1-2H3.
What are the key properties of 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole?
1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole has a molecular weight of 314.34 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-difluorophenoxy)methyl]phenyl]-3,5-dimethylpyrazole is sourced from PubChem (CID 55604203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).