(5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

C24H28N4O3S — CID 17489584

IUPAC(5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H28N4O3S/c1-18(2)20-9-11-22(12-10-20)32(30,31)27-15-13-26(14-16-27)24(29)23-17-25-28(19(23)3)21-7-5-4-6-8-21/h4-12,17-18H,13-16H2,1-3H3
InChIKeyFIVZEHNWZJBDAT-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.45
Rot. Bonds5

About (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone

(5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 17489584) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID17489584
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name(5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cnn1-c1ccccc1
InChIInChI=1S/C24H28N4O3S/c1-18(2)20-9-11-22(12-10-20)32(30,31)27-15-13-26(14-16-27)24(29)23-17-25-28(19(23)3)21-7-5-4-6-8-21/h4-12,17-18H,13-16H2,1-3H3
InChIKeyFIVZEHNWZJBDAT-UHFFFAOYSA-N
XLogP3.45
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 24629532
(5-methyl-1-phenylpyrazol-4-yl)-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 33180759
[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]methanone
CID 31852143
[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 26267145
1-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 3872906
6-methyl-3-[4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbonyl]-1H-pyridin-2-one
CID 55836861
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-(3,5-dimethyl-1-phenylpyrazol-4-yl)methanone
CID 4808769
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
(2,6-difluorophenyl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 4249772
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90586770
(5-methylfuran-2-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9344084
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-(2-methylphenyl)methanone
CID 43011160

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone (CID 17489584) is (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1c(C(=O)N2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cnn1-c1ccccc1.
What is the InChIKey of (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is FIVZEHNWZJBDAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-18(2)20-9-11-22(12-10-20)32(30,31)27-15-13-26(14-16-27)24(29)23-17-25-28(19(23)3)21-7-5-4-6-8-21/h4-12,17-18H,13-16H2,1-3H3.
What are the key properties of (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone?
(5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 452.58 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1-phenylpyrazol-4-yl)-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 17489584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).