N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide

C16H19FN4O3S — CID 110246582

IUPACN-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide
SMILESCCn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H19FN4O3S/c1-2-20-9-8-15(19-20)18-16(22)12-7-10-21(11-12)25(23,24)14-5-3-13(17)4-6-14/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,18,19,22)
InChIKeyRNEAIZFZNONONE-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.69
Rot. Bonds5

About N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide

N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide (PubChem CID 110246582) has the molecular formula C16H19FN4O3S and a molecular weight of 366.42 g/mol. Its IUPAC name is N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide
PubChem CID110246582
Molecular FormulaC16H19FN4O3S
Molecular Weight366.42 g/mol
Exact Mass366.12
IUPAC NameN-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide
SMILESCCn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C16H19FN4O3S/c1-2-20-9-8-15(19-20)18-16(22)12-7-10-21(11-12)25(23,24)14-5-3-13(17)4-6-14/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,18,19,22)
InChIKeyRNEAIZFZNONONE-UHFFFAOYSA-N
XLogP1.69
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide?
The IUPAC name of N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide (CID 110246582) is N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide is CCn1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide?
The InChIKey is RNEAIZFZNONONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O3S/c1-2-20-9-8-15(19-20)18-16(22)12-7-10-21(11-12)25(23,24)14-5-3-13(17)4-6-14/h3-6,8-9,12H,2,7,10-11H2,1H3,(H,18,19,22).
What are the key properties of N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide?
N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)sulfonylpyrrolidine-3-carboxamide is sourced from PubChem (CID 110246582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).