5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide

C9H16N4O2S — CID 175825041

IUPAC5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1CCN1CCC1
InChIInChI=1S/C9H16N4O2S/c1-12-8(3-6-13-4-2-5-13)7-9(11-12)16(10,14)15/h7H,2-6H2,1H3,(H2,10,14,15)
InChIKeyOTHUHEFQBYQCNA-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.68
Rot. Bonds4

About 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide

5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide (PubChem CID 175825041) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide.

Molecular Properties

Compound Name5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide
PubChem CID175825041
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC Name5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide
SMILESCn1nc(S(N)(=O)=O)cc1CCN1CCC1
InChIInChI=1S/C9H16N4O2S/c1-12-8(3-6-13-4-2-5-13)7-9(11-12)16(10,14)15/h7H,2-6H2,1H3,(H2,10,14,15)
InChIKeyOTHUHEFQBYQCNA-UHFFFAOYSA-N
XLogP-0.68
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(2-pyrrolidin-1-ylethyl)pyrazole-3-carbaldehyde
CID 83820285
5-[(cyclopropylmethylamino)methyl]-1-methylpyrazole-3-sulfonamide
CID 170994493
1-methyl-5-propanoylpyrazole-3-sulfonamide
CID 142588011
5-butoxy-2-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 139844167
5-(3-fluorooxetan-3-yl)-1-methylpyrazole-3-sulfonamide
CID 142588038
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxylic acid
CID 115093232
3-methyl-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 82921881
1-methyl-3-(2-pyrrolidin-1-ylethyl)pyrazol-4-amine
CID 83818500
4-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 170862464
5-amino-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]benzenesulfonamide
CID 107213924
3-nitro-4-(2-nitropropan-2-yl)-2-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 19841410
3-[4-[2-(1-methylpyrazol-4-yl)ethyl]-1,4-diazepan-1-yl]propan-1-amine
CID 103000108

Frequently Asked Questions

What is the IUPAC name of 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide?
The IUPAC name of 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide (CID 175825041) is 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide.
What is the SMILES notation for 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide?
The canonical SMILES for 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide is Cn1nc(S(N)(=O)=O)cc1CCN1CCC1.
What is the InChIKey of 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide?
The InChIKey is OTHUHEFQBYQCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-12-8(3-6-13-4-2-5-13)7-9(11-12)16(10,14)15/h7H,2-6H2,1H3,(H2,10,14,15).
What are the key properties of 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide?
5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide has a molecular weight of 244.32 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(azetidin-1-yl)ethyl]-1-methylpyrazole-3-sulfonamide is sourced from PubChem (CID 175825041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).