[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone

C21H20FN3O2 — CID 59170159

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCC1CC(O)(c2ccccc2)CN1C(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O2/c1-14-11-21(27,16-5-3-2-4-6-16)13-25(14)20(26)18-12-23-24-19(18)15-7-9-17(22)10-8-15/h2-10,12,14,27H,11,13H2,1H3,(H,23,24)
InChIKeyPKCRESURQQDODK-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.34
Rot. Bonds3

About [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone (PubChem CID 59170159) has the molecular formula C21H20FN3O2 and a molecular weight of 365.41 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone
PubChem CID59170159
Molecular FormulaC21H20FN3O2
Molecular Weight365.41 g/mol
Exact Mass365.15
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone
SMILESCC1CC(O)(c2ccccc2)CN1C(=O)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C21H20FN3O2/c1-14-11-21(27,16-5-3-2-4-6-16)13-25(14)20(26)18-12-23-24-19(18)15-7-9-17(22)10-8-15/h2-10,12,14,27H,11,13H2,1H3,(H,23,24)
InChIKeyPKCRESURQQDODK-UHFFFAOYSA-N
XLogP3.34
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone (CID 59170159) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone is CC1CC(O)(c2ccccc2)CN1C(=O)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone?
The InChIKey is PKCRESURQQDODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O2/c1-14-11-21(27,16-5-3-2-4-6-16)13-25(14)20(26)18-12-23-24-19(18)15-7-9-17(22)10-8-15/h2-10,12,14,27H,11,13H2,1H3,(H,23,24).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone has a molecular weight of 365.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxy-2-methyl-4-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 59170159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).