N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide

C14H15F2N3O3S — CID 71917918

IUPACN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCCC(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1
InChIInChI=1S/C14H15F2N3O3S/c1-23(21,22)7-3-6-13(20)17-12-8-11(18-19-12)9-4-2-5-10(15)14(9)16/h2,4-5,8H,3,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyUXXCKWRQBCSYSK-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.12
Rot. Bonds6

About N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide

N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide (PubChem CID 71917918) has the molecular formula C14H15F2N3O3S and a molecular weight of 343.36 g/mol. Its IUPAC name is N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide
PubChem CID71917918
Molecular FormulaC14H15F2N3O3S
Molecular Weight343.36 g/mol
Exact Mass343.08
IUPAC NameN-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCCC(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1
InChIInChI=1S/C14H15F2N3O3S/c1-23(21,22)7-3-6-13(20)17-12-8-11(18-19-12)9-4-2-5-10(15)14(9)16/h2,4-5,8H,3,6-7H2,1H3,(H2,17,18,19,20)
InChIKeyUXXCKWRQBCSYSK-UHFFFAOYSA-N
XLogP2.12
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide?
The IUPAC name of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide (CID 71917918) is N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide.
What is the SMILES notation for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide?
The canonical SMILES for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide is CS(=O)(=O)CCCC(=O)Nc1cc(-c2cccc(F)c2F)[nH]n1.
What is the InChIKey of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide?
The InChIKey is UXXCKWRQBCSYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O3S/c1-23(21,22)7-3-6-13(20)17-12-8-11(18-19-12)9-4-2-5-10(15)14(9)16/h2,4-5,8H,3,6-7H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide?
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide has a molecular weight of 343.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-4-methylsulfonylbutanamide is sourced from PubChem (CID 71917918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).