4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide

C10H19N3O3S — CID 114135274

IUPAC4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)CCCCO)cn1
InChIInChI=1S/C10H19N3O3S/c1-13-9-10(8-11-13)4-5-12-17(15,16)7-3-2-6-14/h8-9,12,14H,2-7H2,1H3
InChIKeyHKXTXSOVYONYCH-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.35
Rot. Bonds8

About 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide

4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide (PubChem CID 114135274) has the molecular formula C10H19N3O3S and a molecular weight of 261.35 g/mol. Its IUPAC name is 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
PubChem CID114135274
Molecular FormulaC10H19N3O3S
Molecular Weight261.35 g/mol
Exact Mass261.11
IUPAC Name4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)CCCCO)cn1
InChIInChI=1S/C10H19N3O3S/c1-13-9-10(8-11-13)4-5-12-17(15,16)7-3-2-6-14/h8-9,12,14H,2-7H2,1H3
InChIKeyHKXTXSOVYONYCH-UHFFFAOYSA-N
XLogP-0.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide
CID 116816357
3-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 106073650
2-(cyclopropylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanesulfonamide
CID 106073619
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 103947686
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
N-[2-(1-methylpyrazol-4-yl)ethyl]-1-piperidin-2-ylmethanesulfonamide
CID 80688987
4-[(1-methylpyrazol-4-yl)methylamino]butan-1-ol;hydrochloride
CID 126966638
2-[2-(1-methylpyrazol-4-yl)ethylsulfonyl]acetic acid
CID 103002757
4-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80689629
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]propane-1-sulfonamide
CID 80682915

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide?
The IUPAC name of 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide (CID 114135274) is 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide.
What is the SMILES notation for 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide?
The canonical SMILES for 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide is Cn1cc(CCNS(=O)(=O)CCCCO)cn1.
What is the InChIKey of 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide?
The InChIKey is HKXTXSOVYONYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S/c1-13-9-10(8-11-13)4-5-12-17(15,16)7-3-2-6-14/h8-9,12,14H,2-7H2,1H3.
What are the key properties of 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide?
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide has a molecular weight of 261.35 g/mol, XLogP of -0.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butane-1-sulfonamide is sourced from PubChem (CID 114135274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).