2-(1-propylpyrazol-4-yl)oxyethanesulfonamide

C8H15N3O3S — CID 116804375

IUPAC2-(1-propylpyrazol-4-yl)oxyethanesulfonamide
SMILESCCCn1cc(OCCS(N)(=O)=O)cn1
InChIInChI=1S/C8H15N3O3S/c1-2-3-11-7-8(6-10-11)14-4-5-15(9,12)13/h6-7H,2-5H2,1H3,(H2,9,12,13)
InChIKeyQSBPRMVTCPSMNZ-UHFFFAOYSA-N
MW233.29 g/mol
LogP-0.04
Rot. Bonds6

About 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide

2-(1-propylpyrazol-4-yl)oxyethanesulfonamide (PubChem CID 116804375) has the molecular formula C8H15N3O3S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide.

Molecular Properties

Compound Name2-(1-propylpyrazol-4-yl)oxyethanesulfonamide
PubChem CID116804375
Molecular FormulaC8H15N3O3S
Molecular Weight233.29 g/mol
Exact Mass233.08
IUPAC Name2-(1-propylpyrazol-4-yl)oxyethanesulfonamide
SMILESCCCn1cc(OCCS(N)(=O)=O)cn1
InChIInChI=1S/C8H15N3O3S/c1-2-3-11-7-8(6-10-11)14-4-5-15(9,12)13/h6-7H,2-5H2,1H3,(H2,9,12,13)
InChIKeyQSBPRMVTCPSMNZ-UHFFFAOYSA-N
XLogP-0.04
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-4-(3-propan-2-ylsulfonylpropoxy)pyrazole
CID 99839098
4-ethoxy-1-methyl-1H-pyrazole
CID 22402690
1-Methyl-4-[2-(trifluoromethylsulfanyl)ethoxy]pyrazole
CID 116793976
1-Ethyl-4-[2-(trifluoromethylsulfanyl)ethoxy]pyrazole
CID 116804450
1-Ethyl-4-(3-fluoropropoxy)pyrazole
CID 116804740
1-Propyl-4-[2-(trifluoromethylsulfanyl)ethoxy]pyrazole
CID 116804852
4-(2-Fluoroethoxy)-1-propylpyrazole
CID 116804963
4-(3-Fluoropropoxy)-1-propylpyrazole
CID 116805131
1-Propan-2-yl-4-[2-(trifluoromethylsulfanyl)ethoxy]pyrazole
CID 116805245
1-Methyl-4-(methylsulfonylmethoxy)pyrazole
CID 21465519
4-ethoxy-1-ethyl-1H-pyrazole
CID 56610146
3-(1-Pentylpyrazol-4-yl)oxy-3-pentylsulfonylpropan-1-amine
CID 68414849

Frequently Asked Questions

What is the IUPAC name of 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide?
The IUPAC name of 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide (CID 116804375) is 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide.
What is the SMILES notation for 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide?
The canonical SMILES for 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide is CCCn1cc(OCCS(N)(=O)=O)cn1.
What is the InChIKey of 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide?
The InChIKey is QSBPRMVTCPSMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O3S/c1-2-3-11-7-8(6-10-11)14-4-5-15(9,12)13/h6-7H,2-5H2,1H3,(H2,9,12,13).
What are the key properties of 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide?
2-(1-propylpyrazol-4-yl)oxyethanesulfonamide has a molecular weight of 233.29 g/mol, XLogP of -0.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpyrazol-4-yl)oxyethanesulfonamide is sourced from PubChem (CID 116804375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).