4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide

C14H23N3O4S — CID 77141389

IUPAC4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1cc(C2CCCC2)cn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C14H23N3O4S/c1-14(13(18)16-19,22(2,20)21)7-8-17-10-12(9-15-17)11-5-3-4-6-11/h9-11,19H,3-8H2,1-2H3,(H,16,18)
InChIKeyTXGKMWOYFWNAQB-UHFFFAOYSA-N
MW329.42 g/mol
LogP1.24
Rot. Bonds6

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

4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (PubChem CID 77141389) has the molecular formula C14H23N3O4S and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.

Molecular Properties

Compound Name4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
PubChem CID77141389
Molecular FormulaC14H23N3O4S
Molecular Weight329.42 g/mol
Exact Mass329.14
IUPAC Name4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide
SMILESCC(CCn1cc(C2CCCC2)cn1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C14H23N3O4S/c1-14(13(18)16-19,22(2,20)21)7-8-17-10-12(9-15-17)11-5-3-4-6-11/h9-11,19H,3-8H2,1-2H3,(H,16,18)
InChIKeyTXGKMWOYFWNAQB-UHFFFAOYSA-N
XLogP1.24
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 51.24
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-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The IUPAC name of 4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide (CID 77141389) is 4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide.
What is the SMILES notation for 4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The canonical SMILES for 4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is CC(CCn1cc(C2CCCC2)cn1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of 4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
The InChIKey is TXGKMWOYFWNAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4S/c1-14(13(18)16-19,22(2,20)21)7-8-17-10-12(9-15-17)11-5-3-4-6-11/h9-11,19H,3-8H2,1-2H3,(H,16,18).
What are the key properties of 4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide?
4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide has a molecular weight of 329.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpyrazol-1-yl)-N-hydroxy-2-methyl-2-methylsulfonylbutanamide is sourced from PubChem (CID 77141389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).