1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine

C20H23FN4O2S2 — CID 50842626

IUPAC1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C20H23FN4O2S2/c1-13-12-17(23-22-13)19-14(2)28-15(3)20(19)29(26,27)25-10-8-24(9-11-25)18-7-5-4-6-16(18)21/h4-7,12H,8-11H2,1-3H3,(H,22,23)
InChIKeyUCIRPWPYGABESM-UHFFFAOYSA-N
MW434.56 g/mol
LogP3.71
Rot. Bonds4

About 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine

1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine (PubChem CID 50842626) has the molecular formula C20H23FN4O2S2 and a molecular weight of 434.56 g/mol. Its IUPAC name is 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine
PubChem CID50842626
Molecular FormulaC20H23FN4O2S2
Molecular Weight434.56 g/mol
Exact Mass434.12
IUPAC Name1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3ccccc3F)CC2)n[nH]1
InChIInChI=1S/C20H23FN4O2S2/c1-13-12-17(23-22-13)19-14(2)28-15(3)20(19)29(26,27)25-10-8-24(9-11-25)18-7-5-4-6-16(18)21/h4-7,12H,8-11H2,1-3H3,(H,22,23)
InChIKeyUCIRPWPYGABESM-UHFFFAOYSA-N
XLogP3.71
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-((4-((3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl)piperazin-1-yl)methyl)-4-(4-fluorophenyl)thiazole
CID 30868690
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(4-fluorophenyl)piperazine
CID 3590537
4-methyl-1-{[5-(3-methyl-1H-pyrazol-5-yl)-2-thienyl]sulfonyl}piperidine
CID 20947435
2-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-3,4-dihydro-1H-isoquinoline
CID 20947446
5-(3,4-dimethyl-1H-pyrazol-5-yl)-N-ethyl-N-phenylthiophene-2-sulfonamide
CID 20947530
1-{[5-(3,4-Dimethyl-1H-pyrazol-5-YL)thiophen-2-YL]sulfonyl}-2,3-dihydro-1H-indole
CID 20947539
1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-piperidin-1-ylpiperidine
CID 20947571
1-[5-[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]sulfonyl-4-(2-phenylethyl)piperazine
CID 2810460
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-(2-fluorophenyl)piperazine
CID 4151084
N-[(4-fluorophenyl)methyl]-5-(3-methyl-1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 20947468
1-(4-Fluorophenyl)-4-{[5-(3-methyl-1H-pyrazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20947474
1-(2-Fluorophenyl)-4-{[5-(3-methyl-1H-pyrazol-5-YL)thiophen-2-YL]sulfonyl}piperazine
CID 20947485

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine (CID 50842626) is 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine is Cc1cc(-c2c(C)sc(C)c2S(=O)(=O)N2CCN(c3ccccc3F)CC2)n[nH]1.
What is the InChIKey of 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine?
The InChIKey is UCIRPWPYGABESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2S2/c1-13-12-17(23-22-13)19-14(2)28-15(3)20(19)29(26,27)25-10-8-24(9-11-25)18-7-5-4-6-16(18)21/h4-7,12H,8-11H2,1-3H3,(H,22,23).
What are the key properties of 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine?
1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine has a molecular weight of 434.56 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-4-(5-methyl-1H-pyrazol-3-yl)thiophen-3-yl]sulfonyl-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 50842626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).