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

C23H28N4O3S — CID 90555482

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C23H28N4O3S/c1-2-15-30-21-7-9-22(10-8-21)31(28,29)25-17-19-16-23(18-11-13-24-14-12-18)27(26-19)20-5-3-4-6-20/h7-14,16,20,25H,2-6,15,17H2,1H3
InChIKeyLANAIXPOTWHCAL-UHFFFAOYSA-N
MW440.57 g/mol
LogP4.33
Rot. Bonds9

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

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide (PubChem CID 90555482) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide
PubChem CID90555482
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide
SMILESCCCOc1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C23H28N4O3S/c1-2-15-30-21-7-9-22(10-8-21)31(28,29)25-17-19-16-23(18-11-13-24-14-12-18)27(26-19)20-5-3-4-6-20/h7-14,16,20,25H,2-6,15,17H2,1H3
InChIKeyLANAIXPOTWHCAL-UHFFFAOYSA-N
XLogP4.33
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 54.33
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-(trifluoromethoxy)benzenesulfonamide
CID 90555503
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]-2-methoxy-4,5-dimethylbenzenesulfonamide
CID 90555478
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclohexanesulfonamide
CID 90555420
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 90555360
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide
CID 90556119
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-2-ylpyrazol-3-yl)methyl]-4-ethoxy-3-methylbenzenesulfonamide
CID 90556149
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-3,4,5-triethoxybenzamide
CID 90555403
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-yloxybenzamide
CID 90555323

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide (CID 90555482) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide is CCCOc1ccc(S(=O)(=O)NCc2cc(-c3ccncc3)n(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide?
The InChIKey is LANAIXPOTWHCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-2-15-30-21-7-9-22(10-8-21)31(28,29)25-17-19-16-23(18-11-13-24-14-12-18)27(26-19)20-5-3-4-6-20/h7-14,16,20,25H,2-6,15,17H2,1H3.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide has a molecular weight of 440.57 g/mol, XLogP of 4.33, 9 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-propoxybenzenesulfonamide is sourced from PubChem (CID 90555482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).