1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol

C22H23F2N3O — CID 70742297

IUPAC1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(O)CC1
InChIInChI=1S/C22H23F2N3O/c1-15-4-2-3-5-19(15)22-16(13-26-10-8-18(28)9-11-26)14-27(25-22)21-7-6-17(23)12-20(21)24/h2-7,12,14,18,28H,8-11,13H2,1H3
InChIKeyJDUZORLFBHPWJV-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.08
Rot. Bonds4

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

1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol (PubChem CID 70742297) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
PubChem CID70742297
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol
SMILESCc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(O)CC1
InChIInChI=1S/C22H23F2N3O/c1-15-4-2-3-5-19(15)22-16(13-26-10-8-18(28)9-11-26)14-27(25-22)21-7-6-17(23)12-20(21)24/h2-7,12,14,18,28H,8-11,13H2,1H3
InChIKeyJDUZORLFBHPWJV-UHFFFAOYSA-N
XLogP4.08
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol (CID 70742297) is 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol is Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CN1CCC(O)CC1.
What is the InChIKey of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is JDUZORLFBHPWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c1-15-4-2-3-5-19(15)22-16(13-26-10-8-18(28)9-11-26)14-27(25-22)21-7-6-17(23)12-20(21)24/h2-7,12,14,18,28H,8-11,13H2,1H3.
What are the key properties of 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol?
1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 383.44 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2,4-difluorophenyl)-3-(2-methylphenyl)pyrazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 70742297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).