[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone

C16H19N3O3S — CID 95569597

IUPAC[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C16H19N3O3S/c1-18-11-13(10-17-18)15-7-4-8-19(15)16(20)12-5-3-6-14(9-12)23(2,21)22/h3,5-6,9-11,15H,4,7-8H2,1-2H3/t15-/m1/s1
InChIKeyFALYHMVHLZXSKK-OAHLLOKOSA-N
MW333.41 g/mol
LogP1.80
Rot. Bonds3

About [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone

[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone (PubChem CID 95569597) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
PubChem CID95569597
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC Name[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
SMILESCn1cc([C@H]2CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)cn1
InChIInChI=1S/C16H19N3O3S/c1-18-11-13(10-17-18)15-7-4-8-19(15)16(20)12-5-3-6-14(9-12)23(2,21)22/h3,5-6,9-11,15H,4,7-8H2,1-2H3/t15-/m1/s1
InChIKeyFALYHMVHLZXSKK-OAHLLOKOSA-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

[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
1-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 95348934
2-[3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenoxy]acetamide
CID 95569382
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95352253
[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone
CID 95303191
[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-(3-methylsulfonylphenyl)methanone
CID 9361971
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(2-phenoxy-4-pyridinyl)methanone
CID 95329682
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
(2-chloro-4-pyridinyl)-[2-(1-methylpyrazol-4-yl)piperidin-1-yl]methanone
CID 154803735

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The IUPAC name of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone (CID 95569597) is [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone is Cn1cc([C@H]2CCCN2C(=O)c2cccc(S(C)(=O)=O)c2)cn1.
What is the InChIKey of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone?
The InChIKey is FALYHMVHLZXSKK-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-18-11-13(10-17-18)15-7-4-8-19(15)16(20)12-5-3-6-14(9-12)23(2,21)22/h3,5-6,9-11,15H,4,7-8H2,1-2H3/t15-/m1/s1.
What are the key properties of [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone?
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-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 [(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 95569597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).