(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C15H21BrN6O3S — CID 19479016

IUPAC(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1Br
InChIInChI=1S/C15H21BrN6O3S/c1-10-13(16)14(20(4)18-10)15(23)21-5-7-22(8-6-21)26(24,25)12-9-17-19(3)11(12)2/h9H,5-8H2,1-4H3
InChIKeyHUFJCCILPFNQCJ-UHFFFAOYSA-N
MW445.34 g/mol
LogP0.68
Rot. Bonds3

About (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 19479016) has the molecular formula C15H21BrN6O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID19479016
Molecular FormulaC15H21BrN6O3S
Molecular Weight445.34 g/mol
Exact Mass444.06
IUPAC Name(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1nn(C)c(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1Br
InChIInChI=1S/C15H21BrN6O3S/c1-10-13(16)14(20(4)18-10)15(23)21-5-7-22(8-6-21)26(24,25)12-9-17-19(3)11(12)2/h9H,5-8H2,1-4H3
InChIKeyHUFJCCILPFNQCJ-UHFFFAOYSA-N
XLogP0.68
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1,3-dimethyl-4-nitropyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19479040
1,4-bis[(1,5-dimethylpyrazol-4-yl)sulfonyl]piperazine
CID 19582904
2-(4-chloro-5-methylpyrazol-1-yl)-1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]propan-1-one
CID 19536432
[1-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19472557
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 19527683
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(oxolan-2-yl)methanone
CID 22772856
[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 19515203
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
CID 22772813
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-4-(1-methylpyrazol-4-yl)sulfonylpiperazine
CID 17022437
1-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propan-1-one
CID 19536217
(4-bromo-1,5-dimethylpyrazol-3-yl)-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19279365
[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 19478252

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 19479016) is (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is Cc1nn(C)c(C(=O)N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)c1Br.
What is the InChIKey of (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is HUFJCCILPFNQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN6O3S/c1-10-13(16)14(20(4)18-10)15(23)21-5-7-22(8-6-21)26(24,25)12-9-17-19(3)11(12)2/h9H,5-8H2,1-4H3.
What are the key properties of (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
(4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 445.34 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1,3-dimethylpyrazol-5-yl)-[4-(1,5-dimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 19479016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).