N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

C15H21N3O3S — CID 71806355

IUPACN-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H21N3O3S/c1-11-15(12(2)18(3)17-11)22(20,21)16-10-14(19)9-13-7-5-4-6-8-13/h4-8,14,16,19H,9-10H2,1-3H3
InChIKeySIIVILJDFMISOF-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.92
Rot. Bonds6

About N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide

N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 71806355) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID71806355
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide
SMILESCc1nn(C)c(C)c1S(=O)(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C15H21N3O3S/c1-11-15(12(2)18(3)17-11)22(20,21)16-10-14(19)9-13-7-5-4-6-8-13/h4-8,14,16,19H,9-10H2,1-3H3
InChIKeySIIVILJDFMISOF-UHFFFAOYSA-N
XLogP0.92
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-1,3,5-trimethyl-1H-pyrazole-4-sulfonamide
CID 71806357
1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
CID 75387058
N-(3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-hydroxypropyl)-N,4-dimethylbenzenesulfonamide
CID 44117160
{3-benzyl-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinyl}methanol
CID 45202927
N-(2-hydroxy-3-phenylpropyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 75387098
N-(isochroman-3-ylmethyl)-1-isopropyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 91626550
(S)-2-[(1-methyl-3,5-dimethyl-4-pyrazolylsulfonylamino)methyl]-1,2,3,4-tetrahydro-2-naphthol
CID 97355235
1,3,5-trimethyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 71806237
N-[1-(2-fluorophenyl)-2-hydroxyethyl]-1-methylpyrazole-4-sulfonamide
CID 75387183
1-ethyl-N-[(cis-3-hydroxycyclobutyl)(phenyl)methyl]-3-methyl-1H-pyrazole-5-sulfonamide
CID 91789087
(1-{[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]sulfonyl}-3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl)methanol
CID 139001894
5-chloro-1,3-dimethyl-N-[(2S,3R)-5,5,5-trifluoro-1-hydroxy-3-phenylpentan-2-yl]pyrazole-4-sulfonamide
CID 44223647

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide (CID 71806355) is N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is Cc1nn(C)c(C)c1S(=O)(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is SIIVILJDFMISOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11-15(12(2)18(3)17-11)22(20,21)16-10-14(19)9-13-7-5-4-6-8-13/h4-8,14,16,19H,9-10H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide?
N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-phenylpropyl)-1,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 71806355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).