[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone

C16H19N3O3S — CID 56801188

IUPAC[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCn1cc(C2CCCN2C(=O)c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C16H19N3O3S/c1-18-11-13(10-17-18)15-4-3-9-19(15)16(20)12-5-7-14(8-6-12)23(2,21)22/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyHLDTYEILHAHLCO-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.80
Rot. Bonds3

About [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone

[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone (PubChem CID 56801188) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
PubChem CID56801188
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
SMILESCn1cc(C2CCCN2C(=O)c2ccc(S(C)(=O)=O)cc2)cn1
InChIInChI=1S/C16H19N3O3S/c1-18-11-13(10-17-18)15-4-3-9-19(15)16(20)12-5-7-14(8-6-12)23(2,21)22/h5-8,10-11,15H,3-4,9H2,1-2H3
InChIKeyHLDTYEILHAHLCO-UHFFFAOYSA-N
XLogP1.80
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95569597
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
N-[[4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 95569536
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
[2-(4-fluorophenyl)piperidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 70754050
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308670
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 95977725
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56825013
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone?
The IUPAC name of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone (CID 56801188) is [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone.
What is the SMILES notation for [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone?
The canonical SMILES for [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone is Cn1cc(C2CCCN2C(=O)c2ccc(S(C)(=O)=O)cc2)cn1.
What is the InChIKey of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone?
The InChIKey is HLDTYEILHAHLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-18-11-13(10-17-18)15-4-3-9-19(15)16(20)12-5-7-14(8-6-12)23(2,21)22/h5-8,10-11,15H,3-4,9H2,1-2H3.
What are the key properties of [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone?
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone has a molecular weight of 333.41 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 [2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 56801188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).