(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone

C18H23N3O4S — CID 18565314

IUPAC(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nc(C)c(S(=O)(=O)N2CCCC2)c1C
InChIInChI=1S/C18H23N3O4S/c1-4-25-16-10-6-5-9-15(16)18(22)21-14(3)17(13(2)19-21)26(23,24)20-11-7-8-12-20/h5-6,9-10H,4,7-8,11-12H2,1-3H3
InChIKeyKYVWAMFZLTUEOK-UHFFFAOYSA-N
MW377.47 g/mol
LogP2.37
Rot. Bonds5

About (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone

(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone (PubChem CID 18565314) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
PubChem CID18565314
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC Name(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone
SMILESCCOc1ccccc1C(=O)n1nc(C)c(S(=O)(=O)N2CCCC2)c1C
InChIInChI=1S/C18H23N3O4S/c1-4-25-16-10-6-5-9-15(16)18(22)21-14(3)17(13(2)19-21)26(23,24)20-11-7-8-12-20/h5-6,9-10H,4,7-8,11-12H2,1-3H3
InChIKeyKYVWAMFZLTUEOK-UHFFFAOYSA-N
XLogP2.37
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The IUPAC name of (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone (CID 18565314) is (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone.
What is the SMILES notation for (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The canonical SMILES for (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone is CCOc1ccccc1C(=O)n1nc(C)c(S(=O)(=O)N2CCCC2)c1C.
What is the InChIKey of (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
The InChIKey is KYVWAMFZLTUEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-4-25-16-10-6-5-9-15(16)18(22)21-14(3)17(13(2)19-21)26(23,24)20-11-7-8-12-20/h5-6,9-10H,4,7-8,11-12H2,1-3H3.
What are the key properties of (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone?
(3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone has a molecular weight of 377.47 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrazol-1-yl)-(2-ethoxyphenyl)methanone is sourced from PubChem (CID 18565314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).