1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one

C14H15N3O3S — CID 785582

IUPAC1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCc1ccn(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C14H15N3O3S/c1-11-8-10-17(15-11)21(19,20)13-6-4-12(5-7-13)16-9-2-3-14(16)18/h4-8,10H,2-3,9H2,1H3
InChIKeyDIMSRFUUBFMHBJ-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.56
Rot. Bonds3

About 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one

1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one (PubChem CID 785582) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one
PubChem CID785582
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one
SMILESCc1ccn(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1
InChIInChI=1S/C14H15N3O3S/c1-11-8-10-17(15-11)21(19,20)13-6-4-12(5-7-13)16-9-2-3-14(16)18/h4-8,10H,2-3,9H2,1H3
InChIKeyDIMSRFUUBFMHBJ-UHFFFAOYSA-N
XLogP1.56
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one (CID 785582) is 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one is Cc1ccn(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1.
What is the InChIKey of 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one?
The InChIKey is DIMSRFUUBFMHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-11-8-10-17(15-11)21(19,20)13-6-4-12(5-7-13)16-9-2-3-14(16)18/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one?
1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one has a molecular weight of 305.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylpyrazol-1-yl)sulfonylphenyl]pyrrolidin-2-one is sourced from PubChem (CID 785582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).