(2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol

C18H14F4N2O — CID 86730432

IUPAC(2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol
SMILESCc1nn(C)c(C(O)c2ccc(F)cc2F)c1-c1c(F)cccc1F
InChIInChI=1S/C18H14F4N2O/c1-9-15(16-12(20)4-3-5-13(16)21)17(24(2)23-9)18(25)11-7-6-10(19)8-14(11)22/h3-8,18,25H,1-2H3
InChIKeyNEOCGBYCDGFNPL-UHFFFAOYSA-N
MW350.32 g/mol
LogP4.03
Rot. Bonds3

About (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol

(2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol (PubChem CID 86730432) has the molecular formula C18H14F4N2O and a molecular weight of 350.32 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol
PubChem CID86730432
Molecular FormulaC18H14F4N2O
Molecular Weight350.32 g/mol
Exact Mass350.10
IUPAC Name(2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol
SMILESCc1nn(C)c(C(O)c2ccc(F)cc2F)c1-c1c(F)cccc1F
InChIInChI=1S/C18H14F4N2O/c1-9-15(16-12(20)4-3-5-13(16)21)17(24(2)23-9)18(25)11-7-6-10(19)8-14(11)22/h3-8,18,25H,1-2H3
InChIKeyNEOCGBYCDGFNPL-UHFFFAOYSA-N
XLogP4.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.32
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol?
The IUPAC name of (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol (CID 86730432) is (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol?
The canonical SMILES for (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol is Cc1nn(C)c(C(O)c2ccc(F)cc2F)c1-c1c(F)cccc1F.
What is the InChIKey of (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol?
The InChIKey is NEOCGBYCDGFNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O/c1-9-15(16-12(20)4-3-5-13(16)21)17(24(2)23-9)18(25)11-7-6-10(19)8-14(11)22/h3-8,18,25H,1-2H3.
What are the key properties of (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol?
(2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol has a molecular weight of 350.32 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(2,6-difluorophenyl)-1,3-dimethylpyrazol-5-yl]methanol is sourced from PubChem (CID 86730432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).