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

C19H21FN4O2S2 — CID 20947579

IUPAC1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)s2)c1C
InChIInChI=1S/C19H21FN4O2S2/c1-13-14(2)21-22-19(13)17-7-8-18(27-17)28(25,26)24-11-9-23(10-12-24)16-5-3-15(20)4-6-16/h3-8H,9-12H2,1-2H3,(H,21,22)
InChIKeyWIEJPHNEYSZNGM-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.41
Rot. Bonds4

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

1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 20947579) has the molecular formula C19H21FN4O2S2 and a molecular weight of 420.54 g/mol. Its IUPAC name is 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID20947579
Molecular FormulaC19H21FN4O2S2
Molecular Weight420.54 g/mol
Exact Mass420.11
IUPAC Name1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine
SMILESCc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)s2)c1C
InChIInChI=1S/C19H21FN4O2S2/c1-13-14(2)21-22-19(13)17-7-8-18(27-17)28(25,26)24-11-9-23(10-12-24)16-5-3-15(20)4-6-16/h3-8H,9-12H2,1-2H3,(H,21,22)
InChIKeyWIEJPHNEYSZNGM-UHFFFAOYSA-N
XLogP3.41
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine (CID 20947579) is 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine is Cc1[nH]nc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)s2)c1C.
What is the InChIKey of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is WIEJPHNEYSZNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2S2/c1-13-14(2)21-22-19(13)17-7-8-18(27-17)28(25,26)24-11-9-23(10-12-24)16-5-3-15(20)4-6-16/h3-8H,9-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine?
1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 420.54 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4,5-dimethyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 20947579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).