1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine

C23H27FN4O2S — CID 42284613

IUPAC1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H27FN4O2S/c1-23(2,3)22-21(17-28(25-22)18-9-5-4-6-10-18)31(29,30)27-15-13-26(14-16-27)20-12-8-7-11-19(20)24/h4-12,17H,13-16H2,1-3H3
InChIKeyBZJPJAQAKIZWPP-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.82
Rot. Bonds4

About 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine

1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine (PubChem CID 42284613) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine
PubChem CID42284613
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine
SMILESCC(C)(C)c1nn(-c2ccccc2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H27FN4O2S/c1-23(2,3)22-21(17-28(25-22)18-9-5-4-6-10-18)31(29,30)27-15-13-26(14-16-27)20-12-8-7-11-19(20)24/h4-12,17H,13-16H2,1-3H3
InChIKeyBZJPJAQAKIZWPP-UHFFFAOYSA-N
XLogP3.82
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine
CID 42284578
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-methylpiperidine
CID 42284583
1-(1,3-diphenylpyrazol-4-yl)sulfonyl-4-(2-methoxyphenyl)piperazine
CID 42285593
ethyl 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42284589
3-tert-butyl-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-sulfonamide
CID 42344987
1-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonyl-4-(4-fluorophenyl)piperazine
CID 42283768
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylisoquinolin-1-one
CID 46247927
1-(3,4-dichloro-2-methoxyphenyl)sulfonyl-4-(2-fluorophenyl)piperazine
CID 2178853
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-(2-fluorophenyl)piperazine
CID 26946811
1-(2-fluorophenyl)-4-(1H-pyrazol-5-ylsulfonyl)piperazine
CID 102691816
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
4-ethyl-7-[4-(2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylpyrrolo[1,2-d][1,2,4]triazin-1-one
CID 53176200

Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine (CID 42284613) is 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine is CC(C)(C)c1nn(-c2ccccc2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
The InChIKey is BZJPJAQAKIZWPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-23(2,3)22-21(17-28(25-22)18-9-5-4-6-10-18)31(29,30)27-15-13-26(14-16-27)20-12-8-7-11-19(20)24/h4-12,17H,13-16H2,1-3H3.
What are the key properties of 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine?
1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine has a molecular weight of 442.56 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1-phenylpyrazol-4-yl)sulfonyl-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 42284613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).