1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol

C20H20F2N2O2 — CID 25067457

IUPAC1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol
SMILESCOc1ccc(Cn2nc(C)cc2CC(O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H20F2N2O2/c1-13-10-15(11-19(25)20-17(21)4-3-5-18(20)22)24(23-13)12-14-6-8-16(26-2)9-7-14/h3-10,19,25H,11-12H2,1-2H3
InChIKeyAHNKYDNTBBPKOI-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.80
Rot. Bonds6

About 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol

1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol (PubChem CID 25067457) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol
PubChem CID25067457
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol
SMILESCOc1ccc(Cn2nc(C)cc2CC(O)c2c(F)cccc2F)cc1
InChIInChI=1S/C20H20F2N2O2/c1-13-10-15(11-19(25)20-17(21)4-3-5-18(20)22)24(23-13)12-14-6-8-16(26-2)9-7-14/h3-10,19,25H,11-12H2,1-2H3
InChIKeyAHNKYDNTBBPKOI-UHFFFAOYSA-N
XLogP3.80
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol (CID 25067457) is 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol is COc1ccc(Cn2nc(C)cc2CC(O)c2c(F)cccc2F)cc1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol?
The InChIKey is AHNKYDNTBBPKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-13-10-15(11-19(25)20-17(21)4-3-5-18(20)22)24(23-13)12-14-6-8-16(26-2)9-7-14/h3-10,19,25H,11-12H2,1-2H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol?
1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol has a molecular weight of 358.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]-5-methylpyrazol-3-yl]ethanol is sourced from PubChem (CID 25067457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).