[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

C22H22FN3O2 — CID 56755442

IUPAC[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C22H22FN3O2/c1-14-18(6-3-7-20(14)27)22(28)26-10-8-15(9-11-26)21-19(13-24-25-21)16-4-2-5-17(23)12-16/h2-7,12-13,15,27H,8-11H2,1H3,(H,24,25)
InChIKeyCFXCYXWIAQYSLV-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.25
Rot. Bonds3

About [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone

[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (PubChem CID 56755442) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
PubChem CID56755442
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
SMILESCc1c(O)cccc1C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1
InChIInChI=1S/C22H22FN3O2/c1-14-18(6-3-7-20(14)27)22(28)26-10-8-15(9-11-26)21-19(13-24-25-21)16-4-2-5-17(23)12-16/h2-7,12-13,15,27H,8-11H2,1H3,(H,24,25)
InChIKeyCFXCYXWIAQYSLV-UHFFFAOYSA-N
XLogP4.25
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The IUPAC name of [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone (CID 56755442) is [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The canonical SMILES for [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is Cc1c(O)cccc1C(=O)N1CCC(c2[nH]ncc2-c2cccc(F)c2)CC1.
What is the InChIKey of [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
The InChIKey is CFXCYXWIAQYSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-14-18(6-3-7-20(14)27)22(28)26-10-8-15(9-11-26)21-19(13-24-25-21)16-4-2-5-17(23)12-16/h2-7,12-13,15,27H,8-11H2,1H3,(H,24,25).
What are the key properties of [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone?
[4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone has a molecular weight of 379.44 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone is sourced from PubChem (CID 56755442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).