[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone

C20H22FN5O3S — CID 91625056

IUPAC[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1
InChIInChI=1S/C20H22FN5O3S/c1-24-12-9-22-20(24)30(28,29)16-7-10-26(11-8-16)19(27)18-13-17(23-25(18)2)14-3-5-15(21)6-4-14/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3
InChIKeyOHDDYXHWTQXSNF-UHFFFAOYSA-N
MW431.49 g/mol
LogP2.04
Rot. Bonds4

About [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone

[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone (PubChem CID 91625056) has the molecular formula C20H22FN5O3S and a molecular weight of 431.49 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
PubChem CID91625056
Molecular FormulaC20H22FN5O3S
Molecular Weight431.49 g/mol
Exact Mass431.14
IUPAC Name[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
SMILESCn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1
InChIInChI=1S/C20H22FN5O3S/c1-24-12-9-22-20(24)30(28,29)16-7-10-26(11-8-16)19(27)18-13-17(23-25(18)2)14-3-5-15(21)6-4-14/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3
InChIKeyOHDDYXHWTQXSNF-UHFFFAOYSA-N
XLogP2.04
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone?
The IUPAC name of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone (CID 91625056) is [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone?
The canonical SMILES for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone is Cn1ccnc1S(=O)(=O)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nn2C)CC1.
What is the InChIKey of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone?
The InChIKey is OHDDYXHWTQXSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3S/c1-24-12-9-22-20(24)30(28,29)16-7-10-26(11-8-16)19(27)18-13-17(23-25(18)2)14-3-5-15(21)6-4-14/h3-6,9,12-13,16H,7-8,10-11H2,1-2H3.
What are the key properties of [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone?
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone has a molecular weight of 431.49 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone is sourced from PubChem (CID 91625056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).