N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide

C15H19N3O4S — CID 71462277

IUPACN-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide
SMILESCC(CCc1cnn(-c2ccccc2)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H19N3O4S/c1-15(14(19)17-20,23(2,21)22)9-8-12-10-16-18(11-12)13-6-4-3-5-7-13/h3-7,10-11,20H,8-9H2,1-2H3,(H,17,19)
InChIKeyKJIYXYMJPYCDNR-UHFFFAOYSA-N
MW337.40 g/mol
LogP1.11
Rot. Bonds6

About N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide

N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide (PubChem CID 71462277) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide
PubChem CID71462277
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide
SMILESCC(CCc1cnn(-c2ccccc2)c1)(C(=O)NO)S(C)(=O)=O
InChIInChI=1S/C15H19N3O4S/c1-15(14(19)17-20,23(2,21)22)9-8-12-10-16-18(11-12)13-6-4-3-5-7-13/h3-7,10-11,20H,8-9H2,1-2H3,(H,17,19)
InChIKeyKJIYXYMJPYCDNR-UHFFFAOYSA-N
XLogP1.11
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.11
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

N-tert-butyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 47141475
(2R)-2-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 94024990
N-hydroxy-2-methyl-2-methylsulfonyl-4-[5-(2-phenylethyl)indazol-1-yl]butanamide
CID 118174823
1-phenyl-4-propylpyrazole
CID 12902534
2,2-dimethyl-4-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 122126840
2-(ethylamino)-2-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 62835939
methyl 2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetate
CID 47141661
N-[(1-phenylpyrazol-4-yl)methyl]propane-1-sulfonamide
CID 61383755
2-(2-tert-butylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 134000816
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
(2R)-2-(carbamoylamino)-3,3-dimethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 124874597

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide?
The IUPAC name of N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide (CID 71462277) is N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide.
What is the SMILES notation for N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide?
The canonical SMILES for N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide is CC(CCc1cnn(-c2ccccc2)c1)(C(=O)NO)S(C)(=O)=O.
What is the InChIKey of N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide?
The InChIKey is KJIYXYMJPYCDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-15(14(19)17-20,23(2,21)22)9-8-12-10-16-18(11-12)13-6-4-3-5-7-13/h3-7,10-11,20H,8-9H2,1-2H3,(H,17,19).
What are the key properties of N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide?
N-hydroxy-2-methyl-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide has a molecular weight of 337.40 g/mol, XLogP of 1.11, 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-2-methylsulfonyl-4-(1-phenylpyrazol-4-yl)butanamide is sourced from PubChem (CID 71462277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).