N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide

C8H15N3O2S — CID 22208935

IUPACN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide
SMILESCc1c(C(C)NS(C)(=O)=O)cnn1C
InChIInChI=1S/C8H15N3O2S/c1-6(10-14(4,12)13)8-5-9-11(3)7(8)2/h5-6,10H,1-4H3
InChIKeyDPWJNSPPALAEBZ-UHFFFAOYSA-N
MW217.29 g/mol
LogP0.34
Rot. Bonds3

About N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide (PubChem CID 22208935) has the molecular formula C8H15N3O2S and a molecular weight of 217.29 g/mol. Its IUPAC name is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide
PubChem CID22208935
Molecular FormulaC8H15N3O2S
Molecular Weight217.29 g/mol
Exact Mass217.09
IUPAC NameN-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide
SMILESCc1c(C(C)NS(C)(=O)=O)cnn1C
InChIInChI=1S/C8H15N3O2S/c1-6(10-14(4,12)13)8-5-9-11(3)7(8)2/h5-6,10H,1-4H3
InChIKeyDPWJNSPPALAEBZ-UHFFFAOYSA-N
XLogP0.34
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide?
The IUPAC name of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide (CID 22208935) is N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide?
The canonical SMILES for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide is Cc1c(C(C)NS(C)(=O)=O)cnn1C.
What is the InChIKey of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide?
The InChIKey is DPWJNSPPALAEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O2S/c1-6(10-14(4,12)13)8-5-9-11(3)7(8)2/h5-6,10H,1-4H3.
What are the key properties of N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide?
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide has a molecular weight of 217.29 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]methanesulfonamide is sourced from PubChem (CID 22208935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).