[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol

C18H14ClF3N2O2 — CID 66613361

IUPAC[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(F)c1
InChIInChI=1S/C18H14ClF3N2O2/c1-24-16(14-11(20)4-3-5-12(14)21)15(18(19)23-24)17(25)10-7-6-9(26-2)8-13(10)22/h3-8,17,25H,1-2H3
InChIKeyYPWBXKWDBJJXHG-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.25
Rot. Bonds4

About [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol

[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol (PubChem CID 66613361) has the molecular formula C18H14ClF3N2O2 and a molecular weight of 382.77 g/mol. Its IUPAC name is [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol
PubChem CID66613361
Molecular FormulaC18H14ClF3N2O2
Molecular Weight382.77 g/mol
Exact Mass382.07
IUPAC Name[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(F)c1
InChIInChI=1S/C18H14ClF3N2O2/c1-24-16(14-11(20)4-3-5-12(14)21)15(18(19)23-24)17(25)10-7-6-9(26-2)8-13(10)22/h3-8,17,25H,1-2H3
InChIKeyYPWBXKWDBJJXHG-UHFFFAOYSA-N
XLogP4.25
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol 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 [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol (CID 66613361) is [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(Cl)nn(C)c2-c2c(F)cccc2F)c(F)c1.
What is the InChIKey of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol?
The InChIKey is YPWBXKWDBJJXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF3N2O2/c1-24-16(14-11(20)4-3-5-12(14)21)15(18(19)23-24)17(25)10-7-6-9(26-2)8-13(10)22/h3-8,17,25H,1-2H3.
What are the key properties of [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol?
[3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol has a molecular weight of 382.77 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(2,6-difluorophenyl)-1-methylpyrazol-4-yl]-(2-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66613361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).