N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide

C16H21N3O4S — CID 66558303

IUPACN-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide
SMILESCc1ccc(-c2cnn(CCC(C)(C(=O)NO)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C16H21N3O4S/c1-12-4-6-13(7-5-12)14-10-17-19(11-14)9-8-16(2,15(20)18-21)24(3,22)23/h4-7,10-11,21H,8-9H2,1-3H3,(H,18,20)
InChIKeyLEIRWBCURNVGMT-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.56
Rot. Bonds6

About N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide

N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide (PubChem CID 66558303) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide
PubChem CID66558303
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide
SMILESCc1ccc(-c2cnn(CCC(C)(C(=O)NO)S(C)(=O)=O)c2)cc1
InChIInChI=1S/C16H21N3O4S/c1-12-4-6-13(7-5-12)14-10-17-19(11-14)9-8-16(2,15(20)18-21)24(3,22)23/h4-7,10-11,21H,8-9H2,1-3H3,(H,18,20)
InChIKeyLEIRWBCURNVGMT-UHFFFAOYSA-N
XLogP1.56
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-methyl-2-methylsulfonyl-4-(4-phenylpyrazol-1-yl)butanoic acid
CID 70817707
4-[4-[1-(4-fluorophenyl)imidazol-4-yl]pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66558897
(2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66558121
(2R)-2-methyl-2-methylsulfonyl-6-(4-phenylpyrazol-1-yl)hexanoic acid
CID 175283296
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-4-(6-oxo-4-phenylpyridazin-1-yl)butanamide
CID 57326697
(2R)-N-hydroxy-2-methyl-4-[7-(4-methylphenyl)-4-oxoquinazolin-3-yl]-2-methylsulfonylbutanamide
CID 129217577
(2S)-4-[5-fluoro-7-(4-methylphenyl)-4-oxoquinazolin-3-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 158480020
2,2-dimethyl-N-[2-(4-phenylpyrazol-1-yl)ethyl]propanamide
CID 121020143
(2R)-N-hydroxy-2-methyl-4-[4-[4-(1-methylimidazol-2-yl)phenyl]-2-oxo-1-pyridinyl]-2-methylsulfonylbutanamide
CID 90116515
4-[4-(2-fluoro-4-methylphenyl)-2-oxo-1-pyridinyl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 123963957
N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide
CID 71462277
methyl 2-methyl-2-(methylamino)-4-(4-phenylpyrazol-1-yl)butanoate
CID 62770643

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide?
The IUPAC name of N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide (CID 66558303) is N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide.
What is the SMILES notation for N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide?
The canonical SMILES for N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide is Cc1ccc(-c2cnn(CCC(C)(C(=O)NO)S(C)(=O)=O)c2)cc1.
What is the InChIKey of N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide?
The InChIKey is LEIRWBCURNVGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-12-4-6-13(7-5-12)14-10-17-19(11-14)9-8-16(2,15(20)18-21)24(3,22)23/h4-7,10-11,21H,8-9H2,1-3H3,(H,18,20).
What are the key properties of N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide?
N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide has a molecular weight of 351.43 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-methyl-4-[4-(4-methylphenyl)pyrazol-1-yl]-2-methylsulfonylbutanamide is sourced from PubChem (CID 66558303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).