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

C19H22FN3O3S — CID 71809348

IUPAC(3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C19H22FN3O3S/c20-14-8-6-13(7-9-14)17-10-18(22-21-17)19(24)23-11-16(12-23)27(25,26)15-4-2-1-3-5-15/h6-10,15-16H,1-5,11-12H2,(H,21,22)
InChIKeyFLFCAMAKNNISGN-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.79
Rot. Bonds4

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

(3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 71809348) has the molecular formula C19H22FN3O3S and a molecular weight of 391.47 g/mol. Its IUPAC name is (3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name(3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID71809348
Molecular FormulaC19H22FN3O3S
Molecular Weight391.47 g/mol
Exact Mass391.14
IUPAC Name(3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESO=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(S(=O)(=O)C2CCCCC2)C1
InChIInChI=1S/C19H22FN3O3S/c20-14-8-6-13(7-9-14)17-10-18(22-21-17)19(24)23-11-16(12-23)27(25,26)15-4-2-1-3-5-15/h6-10,15-16H,1-5,11-12H2,(H,21,22)
InChIKeyFLFCAMAKNNISGN-UHFFFAOYSA-N
XLogP2.79
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of (3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 71809348) is (3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for (3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for (3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CC(S(=O)(=O)C2CCCCC2)C1.
What is the InChIKey of (3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is FLFCAMAKNNISGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3S/c20-14-8-6-13(7-9-14)17-10-18(22-21-17)19(24)23-11-16(12-23)27(25,26)15-4-2-1-3-5-15/h6-10,15-16H,1-5,11-12H2,(H,21,22).
What are the key properties of (3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
(3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexylsulfonylazetidin-1-yl)-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 71809348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).