(2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C15H25N3O4S — CID 66558121

IUPAC(2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1cc(C2CCCCC2)cn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-15(14(19)17-20,23(2,21)22)8-9-18-11-13(10-16-18)12-6-4-3-5-7-12/h10-12,20H,3-9H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyDIAGKBHKDRMFKK-OAHLLOKOSA-N
MW343.45 g/mol
LogP1.63
Rot. Bonds6

About (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

(2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 66558121) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name(2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID66558121
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name(2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESC[C@@](CCn1cc(C2CCCCC2)cn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-15(14(19)17-20,23(2,21)22)8-9-18-11-13(10-16-18)12-6-4-3-5-7-12/h10-12,20H,3-9H2,1-2H3,(H,17,19)/t15-/m1/s1
InChIKeyDIAGKBHKDRMFKK-OAHLLOKOSA-N
XLogP1.63
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.63
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)-N-hydroxy-2-methyl-2-(methylsulfonyl)-4-(4-phenyl-1H-pyrazol-1-yl)butanamide
CID 66558213
(2R)-4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 66558120
(2R)-4-(4-cyclopentyl-1H-pyrazol-1-yl)-N-hydroxy-2-methyl-2-(methylsulfonyl)butanamide
CID 66558211
N-hydroxy-2-methyl-2-methylsulfonyl-4-(4-phenylpyrazol-1-yl)butanamide
CID 66558302
(2R)-4-(4-cyclopentyl-1H-pyrazol-1-yl)-2-methyl-2-(methylsulfonyl)butanoic acid
CID 70817619
(2R)-4-(4-cyclohexyl-1H-pyrazol-1-yl)-2-methyl-2-(methylsulfonyl)butanoic acid
CID 70817727
4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 77141366
4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 77141367
4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
CID 77141389
4-(4-Cyclopentylpyrazol-1-yl)-2-methyl-2-methylsulfonylbutanoic acid
CID 77928209
4-(4-Cyclohexylpyrazol-1-yl)-2-methyl-2-methylsulfonylbutanoic acid
CID 77928219
ethyl (2R)-4-(4-cyclohexyl-1H-pyrazol-1-yl)-2-methyl-2-(methylsulfonyl)butanoate
CID 86710228

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 66558121) is (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is C[C@@](CCn1cc(C2CCCCC2)cn1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is DIAGKBHKDRMFKK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-15(14(19)17-20,23(2,21)22)8-9-18-11-13(10-16-18)12-6-4-3-5-7-12/h10-12,20H,3-9H2,1-2H3,(H,17,19)/t15-/m1/s1.
What are the key properties of (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
(2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 343.45 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-cyclohexylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 66558121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).