(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

C18H24N4O3S — CID 53078803

IUPAC(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C18H24N4O3S/c1-13-7-5-6-8-16(13)18(23)21-9-11-22(12-10-21)26(24,25)17-14(2)19-20(4)15(17)3/h5-8H,9-12H2,1-4H3
InChIKeyQNECVVQZWQOJNT-UHFFFAOYSA-N
MW376.48 g/mol
LogP1.49
Rot. Bonds3

About (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone

(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (PubChem CID 53078803) has the molecular formula C18H24N4O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
PubChem CID53078803
Molecular FormulaC18H24N4O3S
Molecular Weight376.48 g/mol
Exact Mass376.16
IUPAC Name(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1
InChIInChI=1S/C18H24N4O3S/c1-13-7-5-6-8-16(13)18(23)21-9-11-22(12-10-21)26(24,25)17-14(2)19-20(4)15(17)3/h5-8H,9-12H2,1-4H3
InChIKeyQNECVVQZWQOJNT-UHFFFAOYSA-N
XLogP1.49
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-methoxyphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078819
(2,4-dichlorophenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53078832
3-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]chromen-2-one
CID 53078770
[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]-(2-methylphenyl)methanone
CID 110328653
(2-methylphenyl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
CID 1075998
pyrazin-2-yl-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 110805442
[4-(benzenesulfonyl)piperazin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 38071484
(5-bromo-3-pyridinyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 53007094
tert-butyl 4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine-1-carboxylate
CID 17380419
methyl 4-oxo-4-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]butanoate
CID 110817933
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
1-naphthalen-2-ylsulfonyl-4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazine
CID 55428799

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone (CID 53078803) is (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is Cc1ccccc1C(=O)N1CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1.
What is the InChIKey of (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is QNECVVQZWQOJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3S/c1-13-7-5-6-8-16(13)18(23)21-9-11-22(12-10-21)26(24,25)17-14(2)19-20(4)15(17)3/h5-8H,9-12H2,1-4H3.
What are the key properties of (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone?
(2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 376.48 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 53078803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).