2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole

C16H25N5O3S — CID 91911681

IUPAC2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole
SMILESCCn1cc(S(=O)(=O)N2CCC(c3ncc(C)n3CCOC)C2)cn1
InChIInChI=1S/C16H25N5O3S/c1-4-19-12-15(10-18-19)25(22,23)20-6-5-14(11-20)16-17-9-13(2)21(16)7-8-24-3/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyAHFCLQPHIYQNDQ-UHFFFAOYSA-N
MW367.48 g/mol
LogP1.23
Rot. Bonds7

About 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole

2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole (PubChem CID 91911681) has the molecular formula C16H25N5O3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole.

Molecular Properties

Compound Name2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole
PubChem CID91911681
Molecular FormulaC16H25N5O3S
Molecular Weight367.48 g/mol
Exact Mass367.17
IUPAC Name2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole
SMILESCCn1cc(S(=O)(=O)N2CCC(c3ncc(C)n3CCOC)C2)cn1
InChIInChI=1S/C16H25N5O3S/c1-4-19-12-15(10-18-19)25(22,23)20-6-5-14(11-20)16-17-9-13(2)21(16)7-8-24-3/h9-10,12,14H,4-8,11H2,1-3H3
InChIKeyAHFCLQPHIYQNDQ-UHFFFAOYSA-N
XLogP1.23
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole?
The IUPAC name of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole (CID 91911681) is 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole.
What is the SMILES notation for 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole?
The canonical SMILES for 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole is CCn1cc(S(=O)(=O)N2CCC(c3ncc(C)n3CCOC)C2)cn1.
What is the InChIKey of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole?
The InChIKey is AHFCLQPHIYQNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3S/c1-4-19-12-15(10-18-19)25(22,23)20-6-5-14(11-20)16-17-9-13(2)21(16)7-8-24-3/h9-10,12,14H,4-8,11H2,1-3H3.
What are the key properties of 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole?
2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole has a molecular weight of 367.48 g/mol, XLogP of 1.23, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(2-methoxyethyl)-5-methylimidazole is sourced from PubChem (CID 91911681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).