3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide

C14H19N3O3S — CID 107817829

IUPAC3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CO)c1S(=O)(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H19N3O3S/c1-9(2)11-6-4-5-7-12(11)17-21(19,20)14-10(3)15-16-13(14)8-18/h4-7,9,17-18H,8H2,1-3H3,(H,15,16)
InChIKeyKRBHBKRDQFMAMX-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.13
Rot. Bonds5

About 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide

3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide (PubChem CID 107817829) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide
PubChem CID107817829
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]nc(CO)c1S(=O)(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C14H19N3O3S/c1-9(2)11-6-4-5-7-12(11)17-21(19,20)14-10(3)15-16-13(14)8-18/h4-7,9,17-18H,8H2,1-3H3,(H,15,16)
InChIKeyKRBHBKRDQFMAMX-UHFFFAOYSA-N
XLogP2.13
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106044765
3-(aminomethyl)-N-(2-chlorophenyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 106061953
3,5-dimethyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]-1H-pyrazole-4-sulfonamide
CID 113017795
5-(hydroxymethyl)-N-(2-propan-2-ylphenyl)furan-2-sulfonamide
CID 107813315
2-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]phenyl]acetic acid
CID 62535345
N-(3-bromo-2-methylphenyl)-5-methyl-3-(methylaminomethyl)-1H-pyrazole-4-sulfonamide
CID 106088134
N-(2-ethylsulfanylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 60934151
ethyl 5-[(2-propan-2-ylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylate
CID 46510750
N-(1-ethylsulfanylpropan-2-yl)-3-(hydroxymethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 114135571
4-amino-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62081566
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
CID 2683771
2-bromo-4,5-dimethyl-N-(2-propan-2-ylphenyl)benzenesulfonamide
CID 146147461

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide (CID 107817829) is 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]nc(CO)c1S(=O)(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is KRBHBKRDQFMAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c1-9(2)11-6-4-5-7-12(11)17-21(19,20)14-10(3)15-16-13(14)8-18/h4-7,9,17-18H,8H2,1-3H3,(H,15,16).
What are the key properties of 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide?
3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-5-methyl-N-(2-propan-2-ylphenyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 107817829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).