N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide

C15H17F2N3O3S — CID 51130293

IUPACN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3O3S/c1-3-24(22,23)9-14(21)19-15-10(2)7-18-20(15)8-11-6-12(16)4-5-13(11)17/h4-7H,3,8-9H2,1-2H3,(H,19,21)
InChIKeyCIMGTPZBVIBHBI-UHFFFAOYSA-N
MW357.38 g/mol
LogP1.89
Rot. Bonds6

About N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide

N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide (PubChem CID 51130293) has the molecular formula C15H17F2N3O3S and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide
PubChem CID51130293
Molecular FormulaC15H17F2N3O3S
Molecular Weight357.38 g/mol
Exact Mass357.10
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide
SMILESCCS(=O)(=O)CC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F
InChIInChI=1S/C15H17F2N3O3S/c1-3-24(22,23)9-14(21)19-15-10(2)7-18-20(15)8-11-6-12(16)4-5-13(11)17/h4-7H,3,8-9H2,1-2H3,(H,19,21)
InChIKeyCIMGTPZBVIBHBI-UHFFFAOYSA-N
XLogP1.89
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide (CID 51130293) is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide is CCS(=O)(=O)CC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide?
The InChIKey is CIMGTPZBVIBHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3S/c1-3-24(22,23)9-14(21)19-15-10(2)7-18-20(15)8-11-6-12(16)4-5-13(11)17/h4-7H,3,8-9H2,1-2H3,(H,19,21).
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide?
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide has a molecular weight of 357.38 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]-2-ethylsulfonylacetamide is sourced from PubChem (CID 51130293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).