1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine

C20H22FN5O2S — CID 53075843

IUPAC1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22FN5O2S/c1-15-20(16(2)26(23-15)18-8-6-17(21)7-9-18)29(27,28)25-13-11-24(12-14-25)19-5-3-4-10-22-19/h3-10H,11-14H2,1-2H3
InChIKeyQUFFUSRKDUIWRR-UHFFFAOYSA-N
MW415.49 g/mol
LogP2.53
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine

1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine (PubChem CID 53075843) has the molecular formula C20H22FN5O2S and a molecular weight of 415.49 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine
PubChem CID53075843
Molecular FormulaC20H22FN5O2S
Molecular Weight415.49 g/mol
Exact Mass415.15
IUPAC Name1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H22FN5O2S/c1-15-20(16(2)26(23-15)18-8-6-17(21)7-9-18)29(27,28)25-13-11-24(12-14-25)19-5-3-4-10-22-19/h3-10H,11-14H2,1-2H3
InChIKeyQUFFUSRKDUIWRR-UHFFFAOYSA-N
XLogP2.53
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine (CID 53075843) is 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine is Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine?
The InChIKey is QUFFUSRKDUIWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2S/c1-15-20(16(2)26(23-15)18-8-6-17(21)7-9-18)29(27,28)25-13-11-24(12-14-25)19-5-3-4-10-22-19/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine?
1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine has a molecular weight of 415.49 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]sulfonyl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 53075843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).