(1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

C19H26N4O3S — CID 9326864

IUPAC(1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3)CC2)c1C
InChIInChI=1S/C19H26N4O3S/c1-13-10-14(2)16(4)18(15(13)3)27(25,26)23-8-6-22(7-9-23)19(24)17-11-20-21(5)12-17/h10-12H,6-9H2,1-5H3
InChIKeyNYNRZAWTOGWLBH-UHFFFAOYSA-N
MW390.51 g/mol
LogP1.80
Rot. Bonds3

About (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone

(1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 9326864) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID9326864
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC Name(1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3)CC2)c1C
InChIInChI=1S/C19H26N4O3S/c1-13-10-14(2)16(4)18(15(13)3)27(25,26)23-8-6-22(7-9-23)19(24)17-11-20-21(5)12-17/h10-12H,6-9H2,1-5H3
InChIKeyNYNRZAWTOGWLBH-UHFFFAOYSA-N
XLogP1.80
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone (CID 9326864) is (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cnn(C)c3)CC2)c1C.
What is the InChIKey of (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is NYNRZAWTOGWLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-13-10-14(2)16(4)18(15(13)3)27(25,26)23-8-6-22(7-9-23)19(24)17-11-20-21(5)12-17/h10-12H,6-9H2,1-5H3.
What are the key properties of (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone?
(1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 390.51 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 9326864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).