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

C16H19F3N4O2S — CID 46976898

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H19F3N4O2S/c1-11-15(12(2)21-20-11)26(24,25)23-9-7-22(8-10-23)14-6-4-3-5-13(14)16(17,18)19/h3-6H,7-10H2,1-2H3,(H,20,21)
InChIKeyISLFMJOMRFFDRZ-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.56
Rot. Bonds3

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

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine (PubChem CID 46976898) has the molecular formula C16H19F3N4O2S and a molecular weight of 388.42 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
PubChem CID46976898
Molecular FormulaC16H19F3N4O2S
Molecular Weight388.42 g/mol
Exact Mass388.12
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C16H19F3N4O2S/c1-11-15(12(2)21-20-11)26(24,25)23-9-7-22(8-10-23)14-6-4-3-5-13(14)16(17,18)19/h3-6H,7-10H2,1-2H3,(H,20,21)
InChIKeyISLFMJOMRFFDRZ-UHFFFAOYSA-N
XLogP2.56
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine (CID 46976898) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is ISLFMJOMRFFDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O2S/c1-11-15(12(2)21-20-11)26(24,25)23-9-7-22(8-10-23)14-6-4-3-5-13(14)16(17,18)19/h3-6H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 388.42 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 46976898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).