1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide

C17H21FN4O3S — CID 110246581

IUPAC1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccn(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H21FN4O3S/c1-13-6-9-21(20-13)11-8-19-17(23)14-7-10-22(12-14)26(24,25)16-4-2-15(18)3-5-16/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,23)
InChIKeyRFHOJHGPWURCOK-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.16
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 110246581) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID110246581
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccn(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C17H21FN4O3S/c1-13-6-9-21(20-13)11-8-19-17(23)14-7-10-22(12-14)26(24,25)16-4-2-15(18)3-5-16/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,23)
InChIKeyRFHOJHGPWURCOK-UHFFFAOYSA-N
XLogP1.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 110246581) is 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide is Cc1ccn(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is RFHOJHGPWURCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-13-6-9-21(20-13)11-8-19-17(23)14-7-10-22(12-14)26(24,25)16-4-2-15(18)3-5-16/h2-6,9,14H,7-8,10-12H2,1H3,(H,19,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).