N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide

C13H17N3O3S — CID 75387098

IUPACN-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)Cc2ccccc2)cn1
InChIInChI=1S/C13H17N3O3S/c1-16-10-13(9-14-16)20(18,19)15-8-12(17)7-11-5-3-2-4-6-11/h2-6,9-10,12,15,17H,7-8H2,1H3
InChIKeyJTBPFQMUAHVZCD-UHFFFAOYSA-N
MW295.36 g/mol
LogP0.30
Rot. Bonds6

About N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide

N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 75387098) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide
PubChem CID75387098
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC NameN-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC(O)Cc2ccccc2)cn1
InChIInChI=1S/C13H17N3O3S/c1-16-10-13(9-14-16)20(18,19)15-8-12(17)7-11-5-3-2-4-6-11/h2-6,9-10,12,15,17H,7-8H2,1H3
InChIKeyJTBPFQMUAHVZCD-UHFFFAOYSA-N
XLogP0.30
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrazole-4-sulfonamide
CID 6469701
1-ethyl-N-(1-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 6470517
N-[2-(2-fluorophenyl)-2-methoxypropyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 71810691
1-Methyl-4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]sulfonylpyrazole
CID 71860561
1-ethyl-N-(2-methoxy-2-phenylethyl)pyrazole-4-sulfonamide
CID 71997142
2-[2-(4-Methylpyrazol-1-yl)ethylamino]-1-(4-methylsulfonylphenyl)ethanol
CID 72142038
1-ethyl-N-(1-hydroxy-3-phenylpropan-2-yl)pyrazole-4-sulfonamide
CID 75387058
1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)-1H-pyrazole-4-sulfonamide
CID 76147688
(R)-2-(1-methyl-4-pyrazolylsulfonylamino)-1-[p-(trifluoromethyl)phenyl]-1-ethanol
CID 99873944
1-ethyl-N-(2-phenylethyl)-1H-pyrazole-4-sulfonamide
CID 6464964
4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-2-phenylmorpholine
CID 71806577
N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]-1-methyl-1H-pyrazole-4-sulfonamide
CID 91631345

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide (CID 75387098) is N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC(O)Cc2ccccc2)cn1.
What is the InChIKey of N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is JTBPFQMUAHVZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-16-10-13(9-14-16)20(18,19)15-8-12(17)7-11-5-3-2-4-6-11/h2-6,9-10,12,15,17H,7-8H2,1H3.
What are the key properties of N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide?
N-(2-hydroxy-3-phenylpropyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 295.36 g/mol, XLogP of 0.30, 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-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 75387098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).