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

C19H21FN6O3S — CID 19515203

IUPAC[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cnn1C
InChIInChI=1S/C19H21FN6O3S/c1-13-18(12-21-24(13)2)30(28,29)26-9-7-25(8-10-26)19(27)17-11-16(22-23-17)14-3-5-15(20)6-4-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)
InChIKeyVHSPFQMNALUVEP-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.40
Rot. Bonds4

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

[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 19515203) has the molecular formula C19H21FN6O3S and a molecular weight of 432.48 g/mol. Its IUPAC name is [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
PubChem CID19515203
Molecular FormulaC19H21FN6O3S
Molecular Weight432.48 g/mol
Exact Mass432.14
IUPAC Name[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
SMILESCc1c(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cnn1C
InChIInChI=1S/C19H21FN6O3S/c1-13-18(12-21-24(13)2)30(28,29)26-9-7-25(8-10-26)19(27)17-11-16(22-23-17)14-3-5-15(20)6-4-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,23)
InChIKeyVHSPFQMNALUVEP-UHFFFAOYSA-N
XLogP1.40
TPSA104.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 20910866
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78886851
[3-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1H-pyrazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 50751693
[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 20906544
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515188
[3-(3,4-dichlorophenyl)-1H-pyrazol-5-yl]-[4-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19515133
(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479016
(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidine-3-carboxamide
CID 124975958
(4-ethylpiperazin-1-yl)-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 39854922
(1,3-dimethyl-4-nitropyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479040
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 111434218

Frequently Asked Questions

What is the IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone (CID 19515203) is [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is Cc1c(S(=O)(=O)N2CCN(C(=O)c3cc(-c4ccc(F)cc4)n[nH]3)CC2)cnn1C.
What is the InChIKey of [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is VHSPFQMNALUVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN6O3S/c1-13-18(12-21-24(13)2)30(28,29)26-9-7-25(8-10-26)19(27)17-11-16(22-23-17)14-3-5-15(20)6-4-14/h3-6,11-12H,7-10H2,1-2H3,(H,22,23).
What are the key properties of [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone?
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 432.48 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 19515203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).