(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone

C17H21N3O3S — CID 974222

IUPAC(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1
InChIInChI=1S/C17H21N3O3S/c1-12-6-7-15(17(21)20-14(3)10-13(2)18-20)11-16(12)24(22,23)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyUEWLTXCPUHQFRM-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.28
Rot. Bonds3

About (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone

(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 974222) has the molecular formula C17H21N3O3S and a molecular weight of 347.44 g/mol. Its IUPAC name is (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID974222
Molecular FormulaC17H21N3O3S
Molecular Weight347.44 g/mol
Exact Mass347.13
IUPAC Name(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESCc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1
InChIInChI=1S/C17H21N3O3S/c1-12-6-7-15(17(21)20-14(3)10-13(2)18-20)11-16(12)24(22,23)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyUEWLTXCPUHQFRM-UHFFFAOYSA-N
XLogP2.28
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-(3,5-dimethylpyrazol-1-yl)methanone
CID 7424627
[4-(azepan-1-ylsulfonyl)phenyl]-(3,5-dimethylpyrazol-1-yl)methanone
CID 1287255
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
(4-methylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2390804
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carboxylic acid
CID 45426942
4-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 26760146
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 119563638
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)pyrrolidine-3-carboxylic acid
CID 119353985
(4-ethylpiperazin-4-ium-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2336694
1-(4-methyl-3-piperidin-1-ylsulfonylbenzoyl)piperidine-3-carboxylic acid
CID 45429250
(4-methyl-3-piperidin-1-ylsulfonylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1070097
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 8758893

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 974222) is (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone is Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1.
What is the InChIKey of (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is UEWLTXCPUHQFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S/c1-12-6-7-15(17(21)20-14(3)10-13(2)18-20)11-16(12)24(22,23)19-8-4-5-9-19/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone?
(3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 347.44 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpyrazol-1-yl)-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 974222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).