N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide

C9H17N3O2S — CID 56794067

IUPACN-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide
SMILESCCC(NS(C)(=O)=O)c1cnn(CC)c1
InChIInChI=1S/C9H17N3O2S/c1-4-9(11-15(3,13)14)8-6-10-12(5-2)7-8/h6-7,9,11H,4-5H2,1-3H3
InChIKeyMXFIVXFQYUDXNX-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.90
Rot. Bonds5

About N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide

N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide (PubChem CID 56794067) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide
PubChem CID56794067
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide
SMILESCCC(NS(C)(=O)=O)c1cnn(CC)c1
InChIInChI=1S/C9H17N3O2S/c1-4-9(11-15(3,13)14)8-6-10-12(5-2)7-8/h6-7,9,11H,4-5H2,1-3H3
InChIKeyMXFIVXFQYUDXNX-UHFFFAOYSA-N
XLogP0.90
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide?
The IUPAC name of N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide (CID 56794067) is N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide.
What is the SMILES notation for N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide?
The canonical SMILES for N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide is CCC(NS(C)(=O)=O)c1cnn(CC)c1.
What is the InChIKey of N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide?
The InChIKey is MXFIVXFQYUDXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-4-9(11-15(3,13)14)8-6-10-12(5-2)7-8/h6-7,9,11H,4-5H2,1-3H3.
What are the key properties of N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide?
N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-4-yl)propyl]methanesulfonamide is sourced from PubChem (CID 56794067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).