N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide

C21H21F3N4O3S — CID 90555503

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O3S/c22-21(23,24)31-18-5-7-19(8-6-18)32(29,30)26-14-16-13-20(15-9-11-25-12-10-15)28(27-16)17-3-1-2-4-17/h5-13,17,26H,1-4,14H2
InChIKeySHIDCRJLCGJFAC-UHFFFAOYSA-N
MW466.49 g/mol
LogP4.44
Rot. Bonds7

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

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 90555503) has the molecular formula C21H21F3N4O3S and a molecular weight of 466.49 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID90555503
Molecular FormulaC21H21F3N4O3S
Molecular Weight466.49 g/mol
Exact Mass466.13
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H21F3N4O3S/c22-21(23,24)31-18-5-7-19(8-6-18)32(29,30)26-14-16-13-20(15-9-11-25-12-10-15)28(27-16)17-3-1-2-4-17/h5-13,17,26H,1-4,14H2
InChIKeySHIDCRJLCGJFAC-UHFFFAOYSA-N
XLogP4.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide
CID 90555482
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 90555457
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 71797597
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide
CID 90555420
N-[(1-pyridin-4-yltriazol-4-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 121196161
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-fluorophenoxy)acetamide
CID 90555311
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]naphthalene-2-sulfonamide
CID 90556139
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 90555360
4-[[1-cyclohexyl-5-[4-(trifluoromethoxy)phenyl]pyrazol-3-yl]methyl]benzonitrile
CID 67335072
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 90555323
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 90555324
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide
CID 90556119

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 90555503) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is SHIDCRJLCGJFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O3S/c22-21(23,24)31-18-5-7-19(8-6-18)32(29,30)26-14-16-13-20(15-9-11-25-12-10-15)28(27-16)17-3-1-2-4-17/h5-13,17,26H,1-4,14H2.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 466.49 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 90555503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).