[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

C20H23FN6O3S — CID 78886851

IUPAC[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[nH]n1
InChIInChI=1S/C20H23FN6O3S/c1-13-19(14(2)25(3)24-13)17-12-18(23-22-17)20(28)26-7-9-27(10-8-26)31(29,30)16-6-4-5-15(21)11-16/h4-6,11-12H,7-10H2,1-3H3,(H,22,23)
InChIKeyVVHVCLSAOOUXMX-UHFFFAOYSA-N
MW446.51 g/mol
LogP1.71
Rot. Bonds4

About [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone

[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone (PubChem CID 78886851) has the molecular formula C20H23FN6O3S and a molecular weight of 446.51 g/mol. Its IUPAC name is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
PubChem CID78886851
Molecular FormulaC20H23FN6O3S
Molecular Weight446.51 g/mol
Exact Mass446.15
IUPAC Name[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
SMILESCc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[nH]n1
InChIInChI=1S/C20H23FN6O3S/c1-13-19(14(2)25(3)24-13)17-12-18(23-22-17)20(28)26-7-9-27(10-8-26)31(29,30)16-6-4-5-15(21)11-16/h4-6,11-12H,7-10H2,1-3H3,(H,22,23)
InChIKeyVVHVCLSAOOUXMX-UHFFFAOYSA-N
XLogP1.71
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879336
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78880516
[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879668
(4-pyridin-2-ylpiperazin-1-yl)-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 71700603
(1,5-dimethylpyrazol-3-yl)-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 78904623
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515203
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylphenyl)methanone
CID 7769572
(2,4-difluorophenyl)-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 4805726
N-[1-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]thiophene-2-sulfonamide
CID 78879720
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 26558621
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879881
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone (CID 78886851) is [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone is Cc1nn(C)c(C)c1-c1cc(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)[nH]n1.
What is the InChIKey of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
The InChIKey is VVHVCLSAOOUXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O3S/c1-13-19(14(2)25(3)24-13)17-12-18(23-22-17)20(28)26-7-9-27(10-8-26)31(29,30)16-6-4-5-15(21)11-16/h4-6,11-12H,7-10H2,1-3H3,(H,22,23).
What are the key properties of [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone?
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone has a molecular weight of 446.51 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 78886851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).