1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine

C24H27FN4O2S — CID 42285563

IUPAC1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1cn(C2CCCC2)nc1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN4O2S/c25-20-10-12-21(13-11-20)27-14-16-28(17-15-27)32(30,31)23-18-29(22-8-4-5-9-22)26-24(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,18,22H,4-5,8-9,14-17H2
InChIKeyTXVLHEDHMWGOPT-UHFFFAOYSA-N
MW454.57 g/mol
LogP4.32
Rot. Bonds5

About 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine

1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine (PubChem CID 42285563) has the molecular formula C24H27FN4O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine
PubChem CID42285563
Molecular FormulaC24H27FN4O2S
Molecular Weight454.57 g/mol
Exact Mass454.18
IUPAC Name1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine
SMILESO=S(=O)(c1cn(C2CCCC2)nc1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H27FN4O2S/c25-20-10-12-21(13-11-20)27-14-16-28(17-15-27)32(30,31)23-18-29(22-8-4-5-9-22)26-24(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,18,22H,4-5,8-9,14-17H2
InChIKeyTXVLHEDHMWGOPT-UHFFFAOYSA-N
XLogP4.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine (CID 42285563) is 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine is O=S(=O)(c1cn(C2CCCC2)nc1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
The InChIKey is TXVLHEDHMWGOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2S/c25-20-10-12-21(13-11-20)27-14-16-28(17-15-27)32(30,31)23-18-29(22-8-4-5-9-22)26-24(23)19-6-2-1-3-7-19/h1-3,6-7,10-13,18,22H,4-5,8-9,14-17H2.
What are the key properties of 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine?
1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine has a molecular weight of 454.57 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 42285563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).