[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone

C20H17ClFN3O2 — CID 138999900

IUPAC[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C20H17ClFN3O2/c21-15-3-1-2-13(10-15)18-17(11-23-24-18)19(26)25-9-8-20(27,12-25)14-4-6-16(22)7-5-14/h1-7,10-11,27H,8-9,12H2,(H,23,24)
InChIKeyXBVGLFBMQTTZIU-UHFFFAOYSA-N
MW385.83 g/mol
LogP3.60
Rot. Bonds3

About [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone

[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 138999900) has the molecular formula C20H17ClFN3O2 and a molecular weight of 385.83 g/mol. Its IUPAC name is [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID138999900
Molecular FormulaC20H17ClFN3O2
Molecular Weight385.83 g/mol
Exact Mass385.10
IUPAC Name[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCC(O)(c2ccc(F)cc2)C1
InChIInChI=1S/C20H17ClFN3O2/c21-15-3-1-2-13(10-15)18-17(11-23-24-18)19(26)25-9-8-20(27,12-25)14-4-6-16(22)7-5-14/h1-7,10-11,27H,8-9,12H2,(H,23,24)
InChIKeyXBVGLFBMQTTZIU-UHFFFAOYSA-N
XLogP3.60
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.83
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone (CID 138999900) is [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone is O=C(c1cn[nH]c1-c1cccc(Cl)c1)N1CCC(O)(c2ccc(F)cc2)C1.
What is the InChIKey of [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is XBVGLFBMQTTZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFN3O2/c21-15-3-1-2-13(10-15)18-17(11-23-24-18)19(26)25-9-8-20(27,12-25)14-4-6-16(22)7-5-14/h1-7,10-11,27H,8-9,12H2,(H,23,24).
What are the key properties of [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone?
[5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 385.83 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)-1H-pyrazol-4-yl]-[3-(4-fluorophenyl)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 138999900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).