N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide

C21H23FN4O2S — CID 90555441

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C21H23FN4O2S/c22-18-7-5-16(6-8-18)15-29(27,28)24-14-19-13-21(17-9-11-23-12-10-17)26(25-19)20-3-1-2-4-20/h5-13,20,24H,1-4,14-15H2
InChIKeyXIIGNOMVTPPRQI-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.82
Rot. Bonds7

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide (PubChem CID 90555441) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
PubChem CID90555441
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C21H23FN4O2S/c22-18-7-5-16(6-8-18)15-29(27,28)24-14-19-13-21(17-9-11-23-12-10-17)26(25-19)20-3-1-2-4-20/h5-13,20,24H,1-4,14-15H2
InChIKeyXIIGNOMVTPPRQI-UHFFFAOYSA-N
XLogP3.82
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide (CID 90555441) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide is O=S(=O)(Cc1ccc(F)cc1)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
The InChIKey is XIIGNOMVTPPRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c22-18-7-5-16(6-8-18)15-29(27,28)24-14-19-13-21(17-9-11-23-12-10-17)26(25-19)20-3-1-2-4-20/h5-13,20,24H,1-4,14-15H2.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide has a molecular weight of 414.51 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-1-(4-fluorophenyl)methanesulfonamide is sourced from PubChem (CID 90555441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).