1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine

C18H25FN4O2S — CID 110413563

IUPAC1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN4O2S/c1-14-18(15(2)21-20-14)26(24,25)23-11-9-22(10-12-23)8-4-6-16-5-3-7-17(19)13-16/h3,5,7,13H,4,6,8-12H2,1-2H3,(H,20,21)
InChIKeyLVMQHRJSJVIBSD-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.10
Rot. Bonds6

About 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine

1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine (PubChem CID 110413563) has the molecular formula C18H25FN4O2S and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine
PubChem CID110413563
Molecular FormulaC18H25FN4O2S
Molecular Weight380.49 g/mol
Exact Mass380.17
IUPAC Name1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(CCCc2cccc(F)c2)CC1
InChIInChI=1S/C18H25FN4O2S/c1-14-18(15(2)21-20-14)26(24,25)23-11-9-22(10-12-23)8-4-6-16-5-3-7-17(19)13-16/h3,5,7,13H,4,6,8-12H2,1-2H3,(H,20,21)
InChIKeyLVMQHRJSJVIBSD-UHFFFAOYSA-N
XLogP2.10
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chlorophenyl)propyl]-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 110414132
1-[3-(3-fluorophenyl)propyl]-4-(5-methylthiophen-2-yl)sulfonylpiperazine
CID 110413541
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 110398726
1-(3-fluorophenyl)sulfonyl-4-(3-phenylpropyl)piperazine
CID 55439469
1-benzylsulfonyl-4-[3-(3-fluorophenyl)propyl]piperazine
CID 110413546
1-(2,4-difluorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113079952
1-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110328664
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-methylsulfonylpiperazine
CID 60700150
1-(2,6-dichlorophenyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
CID 113080467
1-(2-chloroethyl)-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-1,4-diazepane
CID 63397082
1-(3,5-dimethyl-1H-pyrazol-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
CID 90507425
4-(3-benzylpyrrolidin-1-yl)sulfonyl-3,5-dimethyl-1H-pyrazole
CID 110874342

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine?
The IUPAC name of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine (CID 110413563) is 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine.
What is the SMILES notation for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine?
The canonical SMILES for 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(CCCc2cccc(F)c2)CC1.
What is the InChIKey of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine?
The InChIKey is LVMQHRJSJVIBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2S/c1-14-18(15(2)21-20-14)26(24,25)23-11-9-22(10-12-23)8-4-6-16-5-3-7-17(19)13-16/h3,5,7,13H,4,6,8-12H2,1-2H3,(H,20,21).
What are the key properties of 1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine?
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-4-[3-(3-fluorophenyl)propyl]piperazine has a molecular weight of 380.49 g/mol, XLogP of 2.10, 6 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-[3-(3-fluorophenyl)propyl]piperazine is sourced from PubChem (CID 110413563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).