N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide

C12H15FN4O3S — CID 106000415

IUPACN-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCO)c(C)c1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C12H15FN4O3S/c1-8-12(9(2)17(15-8)5-6-18)21(19,20)16-11-3-4-14-7-10(11)13/h3-4,7,18H,5-6H2,1-2H3,(H,14,16)
InChIKeyODDYXHXIAYIVEW-UHFFFAOYSA-N
MW314.34 g/mol
LogP0.83
Rot. Bonds5

About N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide

N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 106000415) has the molecular formula C12H15FN4O3S and a molecular weight of 314.34 g/mol. Its IUPAC name is N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID106000415
Molecular FormulaC12H15FN4O3S
Molecular Weight314.34 g/mol
Exact Mass314.08
IUPAC NameN-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
SMILESCc1nn(CCO)c(C)c1S(=O)(=O)Nc1ccncc1F
InChIInChI=1S/C12H15FN4O3S/c1-8-12(9(2)17(15-8)5-6-18)21(19,20)16-11-3-4-14-7-10(11)13/h3-4,7,18H,5-6H2,1-2H3,(H,14,16)
InChIKeyODDYXHXIAYIVEW-UHFFFAOYSA-N
XLogP0.83
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-3,5-dimethyl-N-(4-methyl-3-pyridinyl)pyrazole-4-sulfonamide
CID 106063148
N-(2,2-difluoroethyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 115409002
N-(2,5-difluorophenyl)-1-ethyl-3,5-dimethylpyrazole-4-sulfonamide
CID 51699026
N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 114051879
1-(2-aminoethyl)-N-(2-iodophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106030234
1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide
CID 79359859
N-(3-fluoro-4-pyridinyl)-2-methylbenzenesulfonamide
CID 103862773
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
1-(2-aminoethyl)-N-(3-fluorophenyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106060638
N-(3-fluoro-4-pyridinyl)-4-hydroxybenzenesulfonamide
CID 107595237
N-(2-cyclopropylpropan-2-yl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106001169
5-(ethylaminomethyl)-N-(3-fluoro-4-pyridinyl)-2-methylthiophene-3-sulfonamide
CID 106090175

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide (CID 106000415) is N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide is Cc1nn(CCO)c(C)c1S(=O)(=O)Nc1ccncc1F.
What is the InChIKey of N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is ODDYXHXIAYIVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O3S/c1-8-12(9(2)17(15-8)5-6-18)21(19,20)16-11-3-4-14-7-10(11)13/h3-4,7,18H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide?
N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 314.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-pyridinyl)-1-(2-hydroxyethyl)-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 106000415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).