N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide

C9H17N3O2S — CID 22203942

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
SMILESCCn1cc(CN(C)S(C)(=O)=O)c(C)n1
InChIInChI=1S/C9H17N3O2S/c1-5-12-7-9(8(2)10-12)6-11(3)15(4,13)14/h7H,5-6H2,1-4H3
InChIKeyUZMAMNNBXDUVHX-UHFFFAOYSA-N
MW231.32 g/mol
LogP0.60
Rot. Bonds4

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide (PubChem CID 22203942) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
PubChem CID22203942
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide
SMILESCCn1cc(CN(C)S(C)(=O)=O)c(C)n1
InChIInChI=1S/C9H17N3O2S/c1-5-12-7-9(8(2)10-12)6-11(3)15(4,13)14/h7H,5-6H2,1-4H3
InChIKeyUZMAMNNBXDUVHX-UHFFFAOYSA-N
XLogP0.60
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide (CID 22203942) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide is CCn1cc(CN(C)S(C)(=O)=O)c(C)n1.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide?
The InChIKey is UZMAMNNBXDUVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-5-12-7-9(8(2)10-12)6-11(3)15(4,13)14/h7H,5-6H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide has a molecular weight of 231.32 g/mol, XLogP of 0.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 22203942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).