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

C20H20F2N4O2S — CID 72718703

IUPACN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1nc(-c2ccncc2)cc1C1CC1
InChIInChI=1S/C20H20F2N4O2S/c21-17-3-4-18(22)16(11-17)13-29(27,28)24-9-10-26-20(15-1-2-15)12-19(25-26)14-5-7-23-8-6-14/h3-8,11-12,15,24H,1-2,9-10,13H2
InChIKeyYNVSNIQNNJOHTL-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.22
Rot. Bonds8

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

N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide (PubChem CID 72718703) has the molecular formula C20H20F2N4O2S and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide
PubChem CID72718703
Molecular FormulaC20H20F2N4O2S
Molecular Weight418.47 g/mol
Exact Mass418.13
IUPAC NameN-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide
SMILESO=S(=O)(Cc1cc(F)ccc1F)NCCn1nc(-c2ccncc2)cc1C1CC1
InChIInChI=1S/C20H20F2N4O2S/c21-17-3-4-18(22)16(11-17)13-29(27,28)24-9-10-26-20(15-1-2-15)12-19(25-26)14-5-7-23-8-6-14/h3-8,11-12,15,24H,1-2,9-10,13H2
InChIKeyYNVSNIQNNJOHTL-UHFFFAOYSA-N
XLogP3.22
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The IUPAC name of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide (CID 72718703) is N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The canonical SMILES for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide is O=S(=O)(Cc1cc(F)ccc1F)NCCn1nc(-c2ccncc2)cc1C1CC1.
What is the InChIKey of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
The InChIKey is YNVSNIQNNJOHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O2S/c21-17-3-4-18(22)16(11-17)13-29(27,28)24-9-10-26-20(15-1-2-15)12-19(25-26)14-5-7-23-8-6-14/h3-8,11-12,15,24H,1-2,9-10,13H2.
What are the key properties of N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide?
N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide has a molecular weight of 418.47 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyclopropyl-3-pyridin-4-ylpyrazol-1-yl)ethyl]-1-(2,5-difluorophenyl)methanesulfonamide is sourced from PubChem (CID 72718703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).