1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide

C17H21FN4O3S — CID 110246592

IUPAC1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccnn1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN4O3S/c1-13-6-8-20-22(13)11-9-19-17(23)14-7-10-21(12-14)26(24,25)16-4-2-15(18)3-5-16/h2-6,8,14H,7,9-12H2,1H3,(H,19,23)
InChIKeyKCNFTAJSYYWOCT-UHFFFAOYSA-N
MW380.45 g/mol
LogP1.16
Rot. Bonds6

About 1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide

1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide (PubChem CID 110246592) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
PubChem CID110246592
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC Name1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
SMILESCc1ccnn1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN4O3S/c1-13-6-8-20-22(13)11-9-19-17(23)14-7-10-21(12-14)26(24,25)16-4-2-15(18)3-5-16/h2-6,8,14H,7,9-12H2,1H3,(H,19,23)
InChIKeyKCNFTAJSYYWOCT-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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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 3164045
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CID 1013698
1-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazole-5-carboxamide
CID 6467947
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[[2-(trifluoromethyl)phenyl]sulfonylamino]propanamide
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1-ethyl-4-{[(4-fluorophenyl)sulfonyl]amino}-N-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 19584457
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[(2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
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N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 45850051
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 49738365
1-(1-Phenylpyrazol-4-yl)sulfonylpyrrolidine-3-carboxamide
CID 53540442
N-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 71994283
N-(4-fluorophenyl)sulfonyl-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 84593308
1-(4-fluorophenyl)sulfonyl-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 110246581

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide (CID 110246592) is 1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide is Cc1ccnn1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
The InChIKey is KCNFTAJSYYWOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-13-6-8-20-22(13)11-9-19-17(23)14-7-10-21(12-14)26(24,25)16-4-2-15(18)3-5-16/h2-6,8,14H,7,9-12H2,1H3,(H,19,23).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-N-[2-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide?
1-(4-fluorophenyl)sulfonyl-N-[2-(5-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-(5-methylpyrazol-1-yl)ethyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110246592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).