2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol

C23H25F2N3O — CID 70723518

IUPAC2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCCC1CCO
InChIInChI=1S/C23H25F2N3O/c1-16-5-2-3-7-20(16)23-17(14-27-11-4-6-19(27)10-12-29)15-28(26-23)22-9-8-18(24)13-21(22)25/h2-3,5,7-9,13,15,19,29H,4,6,10-12,14H2,1H3
InChIKeyDWUYCVQMZVYQEJ-UHFFFAOYSA-N
MW397.47 g/mol
LogP4.47
Rot. Bonds6

About 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol

2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol (PubChem CID 70723518) has the molecular formula C23H25F2N3O and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
PubChem CID70723518
Molecular FormulaC23H25F2N3O
Molecular Weight397.47 g/mol
Exact Mass397.20
IUPAC Name2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCCC1CCO
InChIInChI=1S/C23H25F2N3O/c1-16-5-2-3-7-20(16)23-17(14-27-11-4-6-19(27)10-12-29)15-28(26-23)22-9-8-18(24)13-21(22)25/h2-3,5,7-9,13,15,19,29H,4,6,10-12,14H2,1H3
InChIKeyDWUYCVQMZVYQEJ-UHFFFAOYSA-N
XLogP4.47
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol?
The IUPAC name of 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol (CID 70723518) is 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol.
What is the SMILES notation for 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol?
The canonical SMILES for 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol is Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCCC1CCO.
What is the InChIKey of 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol?
The InChIKey is DWUYCVQMZVYQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O/c1-16-5-2-3-7-20(16)23-17(14-27-11-4-6-19(27)10-12-29)15-28(26-23)22-9-8-18(24)13-21(22)25/h2-3,5,7-9,13,15,19,29H,4,6,10-12,14H2,1H3.
What are the key properties of 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol?
2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol has a molecular weight of 397.47 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]pyrrolidin-2-yl]ethanol is sourced from PubChem (CID 70723518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).