1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine

C15H19FN4O2S — CID 19582032

IUPAC1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCn1cc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C15H19FN4O2S/c1-18-12-15(10-17-18)23(21,22)20-8-6-19(7-9-20)11-13-2-4-14(16)5-3-13/h2-5,10,12H,6-9,11H2,1H3
InChIKeyMDXBXBJJSWJEBO-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.07
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine

1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine (PubChem CID 19582032) has the molecular formula C15H19FN4O2S and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
PubChem CID19582032
Molecular FormulaC15H19FN4O2S
Molecular Weight338.41 g/mol
Exact Mass338.12
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
SMILESCn1cc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C15H19FN4O2S/c1-18-12-15(10-17-18)23(21,22)20-8-6-19(7-9-20)11-13-2-4-14(16)5-3-13/h2-5,10,12H,6-9,11H2,1H3
InChIKeyMDXBXBJJSWJEBO-UHFFFAOYSA-N
XLogP1.07
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 563073
1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 19582895
1-[(4-fluorophenyl)methyl]-4-(2,3,4,5,6-pentamethylphenyl)sulfonylpiperazine
CID 3847753
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 17022816
1-(benzenesulfonyl)-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 171154759
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302
2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]acetonitrile
CID 63337013
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
1-[(4-fluorophenyl)methyl]-4-naphthalen-2-ylsulfonylpiperazine
CID 1342528
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 110398726
1-(2,6-difluorophenyl)sulfonyl-4-[(4-fluorophenyl)methyl]piperazine
CID 3698955

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine (CID 19582032) is 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine is Cn1cc(S(=O)(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
The InChIKey is MDXBXBJJSWJEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2S/c1-18-12-15(10-17-18)23(21,22)20-8-6-19(7-9-20)11-13-2-4-14(16)5-3-13/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine?
1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine has a molecular weight of 338.41 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)sulfonylpiperazine is sourced from PubChem (CID 19582032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).