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

C15H23N3O4S — CID 77141366

IUPAC4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1cc(C2=CCCCC2)cn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/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/h6,10-11,20H,3-5,7-9H2,1-2H3,(H,17,19)
InChIKeyOAUFCVTTXFUGMC-UHFFFAOYSA-N
MW341.43 g/mol
LogP1.54
Rot. Bonds6

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

4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 77141366) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID77141366
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1cc(C2=CCCCC2)cn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H23N3O4S/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/h6,10-11,20H,3-5,7-9H2,1-2H3,(H,17,19)
InChIKeyOAUFCVTTXFUGMC-UHFFFAOYSA-N
XLogP1.54
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 77141366) is 4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1cc(C2=CCCCC2)cn1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is OAUFCVTTXFUGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/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/h6,10-11,20H,3-5,7-9H2,1-2H3,(H,17,19).
What are the key properties of 4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 341.43 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclohexen-1-yl)pyrazol-1-yl]-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 77141366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).