N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide

C23H28N4O2S — CID 90556119

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C23H28N4O2S/c1-2-7-18-11-13-21(14-12-18)30(28,29)25-17-19-16-23(22-10-5-6-15-24-22)27(26-19)20-8-3-4-9-20/h5-6,10-16,20,25H,2-4,7-9,17H2,1H3
InChIKeySOUBPGSHRSLIRN-UHFFFAOYSA-N
MW424.57 g/mol
LogP4.49
Rot. Bonds8

About N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide (PubChem CID 90556119) has the molecular formula C23H28N4O2S and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide
PubChem CID90556119
Molecular FormulaC23H28N4O2S
Molecular Weight424.57 g/mol
Exact Mass424.19
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)cc1
InChIInChI=1S/C23H28N4O2S/c1-2-7-18-11-13-21(14-12-18)30(28,29)25-17-19-16-23(22-10-5-6-15-24-22)27(26-19)20-8-3-4-9-20/h5-6,10-16,20,25H,2-4,7-9,17H2,1H3
InChIKeySOUBPGSHRSLIRN-UHFFFAOYSA-N
XLogP4.49
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-2-ylpyrazol-3-yl)methyl]-2-ethoxybenzenesulfonamide
CID 90556123
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
CID 90556104
1-(3-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]methanesulfonamide
CID 90556137
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-ethoxyacetamide
CID 90555872
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propoxybenzenesulfonamide
CID 90555482
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 90555890
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 90555457
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenyl)acetamide
CID 90555911
3-cyclopentyl-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]propanamide
CID 90555898
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(3-methylphenoxy)acetamide
CID 90555944

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide (CID 90556119) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide is CCCc1ccc(S(=O)(=O)NCc2cc(-c3ccccn3)n(C3CCCC3)n2)cc1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide?
The InChIKey is SOUBPGSHRSLIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2S/c1-2-7-18-11-13-21(14-12-18)30(28,29)25-17-19-16-23(22-10-5-6-15-24-22)27(26-19)20-8-3-4-9-20/h5-6,10-16,20,25H,2-4,7-9,17H2,1H3.
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide has a molecular weight of 424.57 g/mol, XLogP of 4.49, 8 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-2-ylpyrazol-3-yl)methyl]-4-propylbenzenesulfonamide is sourced from PubChem (CID 90556119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).