N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide

C21H24N4O3S — CID 72718711

IUPACN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCCn1nc(-c2ccncc2)cc1C1CC1
InChIInChI=1S/C21H24N4O3S/c26-29(27,15-14-28-19-4-2-1-3-5-19)23-12-13-25-21(18-6-7-18)16-20(24-25)17-8-10-22-11-9-17/h1-5,8-11,16,18,23H,6-7,12-15H2
InChIKeyWWDJTOIWBFNPDZ-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.82
Rot. Bonds10

About N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide

N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide (PubChem CID 72718711) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide
PubChem CID72718711
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide
SMILESO=S(=O)(CCOc1ccccc1)NCCn1nc(-c2ccncc2)cc1C1CC1
InChIInChI=1S/C21H24N4O3S/c26-29(27,15-14-28-19-4-2-1-3-5-19)23-12-13-25-21(18-6-7-18)16-20(24-25)17-8-10-22-11-9-17/h1-5,8-11,16,18,23H,6-7,12-15H2
InChIKeyWWDJTOIWBFNPDZ-UHFFFAOYSA-N
XLogP2.82
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide (CID 72718711) is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide is O=S(=O)(CCOc1ccccc1)NCCn1nc(-c2ccncc2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide?
The InChIKey is WWDJTOIWBFNPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c26-29(27,15-14-28-19-4-2-1-3-5-19)23-12-13-25-21(18-6-7-18)16-20(24-25)17-8-10-22-11-9-17/h1-5,8-11,16,18,23H,6-7,12-15H2.
What are the key properties of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide?
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide has a molecular weight of 412.52 g/mol, XLogP of 2.82, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-2-phenoxyethanesulfonamide is sourced from PubChem (CID 72718711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).