N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide

C14H20N4O2S — CID 106086054

IUPACN-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1cccc(CS(=O)(=O)Nc2cn(C)nc2C)c1
InChIInChI=1S/C14H20N4O2S/c1-11-14(9-18(3)16-11)17-21(19,20)10-13-6-4-5-12(7-13)8-15-2/h4-7,9,15,17H,8,10H2,1-3H3
InChIKeyCIBSXIWLOHGDHM-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.39
Rot. Bonds6

About N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide

N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide (PubChem CID 106086054) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
PubChem CID106086054
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC NameN-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide
SMILESCNCc1cccc(CS(=O)(=O)Nc2cn(C)nc2C)c1
InChIInChI=1S/C14H20N4O2S/c1-11-14(9-18(3)16-11)17-21(19,20)10-13-6-4-5-12(7-13)8-15-2/h4-7,9,15,17H,8,10H2,1-3H3
InChIKeyCIBSXIWLOHGDHM-UHFFFAOYSA-N
XLogP1.39
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
The IUPAC name of N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide (CID 106086054) is N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide is CNCc1cccc(CS(=O)(=O)Nc2cn(C)nc2C)c1.
What is the InChIKey of N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
The InChIKey is CIBSXIWLOHGDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11-14(9-18(3)16-11)17-21(19,20)10-13-6-4-5-12(7-13)8-15-2/h4-7,9,15,17H,8,10H2,1-3H3.
What are the key properties of N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide?
N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylpyrazol-4-yl)-1-[3-(methylaminomethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 106086054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).