1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine

C20H28N4O2S — CID 42347063

IUPAC1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2S/c1-2-22-12-14-23(15-13-22)27(25,26)19-16-24(18-10-6-7-11-18)21-20(19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3
InChIKeyVVSFHFYVAIHLLX-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.99
Rot. Bonds5

About 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine

1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine (PubChem CID 42347063) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine.

Molecular Properties

Compound Name1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
PubChem CID42347063
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine
SMILESCCN1CCN(S(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)CC1
InChIInChI=1S/C20H28N4O2S/c1-2-22-12-14-23(15-13-22)27(25,26)19-16-24(18-10-6-7-11-18)21-20(19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3
InChIKeyVVSFHFYVAIHLLX-UHFFFAOYSA-N
XLogP2.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.99
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-ethylpiperazine?
The IUPAC name of 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine (CID 42347063) is 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine.
What is the SMILES notation for 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine?
The canonical SMILES for 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine is CCN1CCN(S(=O)(=O)c2cn(C3CCCC3)nc2-c2ccccc2)CC1.
What is the InChIKey of 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine?
The InChIKey is VVSFHFYVAIHLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-2-22-12-14-23(15-13-22)27(25,26)19-16-24(18-10-6-7-11-18)21-20(19)17-8-4-3-5-9-17/h3-5,8-9,16,18H,2,6-7,10-15H2,1H3.
What are the key properties of 1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine?
1-(1-cyclopentyl-3-phenylpyrazol-4-yl)sulfonyl-4-ethylpiperazine has a molecular weight of 388.54 g/mol, XLogP of 2.99, 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-ethylpiperazine is sourced from PubChem (CID 42347063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).