1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine

C16H21FN4O2S — CID 6467767

IUPAC1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C16H21FN4O2S/c1-2-20-13-16(11-18-20)24(22,23)21-9-7-19(8-10-21)12-14-3-5-15(17)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyFWBZVRDQSZPTTO-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.55
Rot. Bonds5

About 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine

1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 6467767) has the molecular formula C16H21FN4O2S and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID6467767
Molecular FormulaC16H21FN4O2S
Molecular Weight352.44 g/mol
Exact Mass352.14
IUPAC Name1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
SMILESCCn1cc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C16H21FN4O2S/c1-2-20-13-16(11-18-20)24(22,23)21-9-7-19(8-10-21)12-14-3-5-15(17)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3
InChIKeyFWBZVRDQSZPTTO-UHFFFAOYSA-N
XLogP1.55
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 1510184
1-Methyl-1H-pyrazole-4-sulfonic acid 3-(3-benzyl-1-methyl-pyrrolidin-3-yl)-benzylamide
CID 56836167
N-[[3-(1-amino-3-phenylpropan-2-yl)phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836670
N-[[3-[1-(dimethylamino)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836751
N-[[3-[1-(azetidin-1-yl)-3-phenylpropan-2-yl]phenyl]methyl]-1-methylpyrazole-4-sulfonamide
CID 56836904
1-(2-chloro-4-fluorobenzyl)-4-[(1,3-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6465363
1-(3-chlorobenzyl)-4-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 6467892
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
2-(1-ethylpyrazol-4-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 6468426
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(2-fluoro-5-methylphenyl)pyrazole-4-sulfonamide
CID 6470601

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine (CID 6467767) is 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine is CCn1cc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is FWBZVRDQSZPTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2S/c1-2-20-13-16(11-18-20)24(22,23)21-9-7-19(8-10-21)12-14-3-5-15(17)6-4-14/h3-6,11,13H,2,7-10,12H2,1H3.
What are the key properties of 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine?
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 352.44 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 6467767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).