[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol

C22H23F2N3O2 — CID 70757494

IUPAC[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCOCC1CO
InChIInChI=1S/C22H23F2N3O2/c1-15-4-2-3-5-19(15)22-16(11-26-8-9-29-14-18(26)13-28)12-27(25-22)21-7-6-17(23)10-20(21)24/h2-7,10,12,18,28H,8-9,11,13-14H2,1H3
InChIKeyPJLLVYONQGVGEP-UHFFFAOYSA-N
MW399.44 g/mol
LogP3.32
Rot. Bonds5

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

[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol (PubChem CID 70757494) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is [4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
PubChem CID70757494
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCOCC1CO
InChIInChI=1S/C22H23F2N3O2/c1-15-4-2-3-5-19(15)22-16(11-26-8-9-29-14-18(26)13-28)12-27(25-22)21-7-6-17(23)10-20(21)24/h2-7,10,12,18,28H,8-9,11,13-14H2,1H3
InChIKeyPJLLVYONQGVGEP-UHFFFAOYSA-N
XLogP3.32
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol?
The IUPAC name of [4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol (CID 70757494) is [4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol.
What is the SMILES notation for [4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol?
The canonical SMILES for [4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol is Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCOCC1CO.
What is the InChIKey of [4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol?
The InChIKey is PJLLVYONQGVGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-15-4-2-3-5-19(15)22-16(11-26-8-9-29-14-18(26)13-28)12-27(25-22)21-7-6-17(23)10-20(21)24/h2-7,10,12,18,28H,8-9,11,13-14H2,1H3.
What are the key properties of [4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol?
[4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol has a molecular weight of 399.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]morpholin-3-yl]methanol is sourced from PubChem (CID 70757494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).