4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide

C14H20N4O2S — CID 106055074

IUPAC4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1[nH]ncc1CNC)c1ccccc1
InChIInChI=1S/C14H20N4O2S/c1-3-13(11-7-5-4-6-8-11)18-21(19,20)14-12(9-15-2)10-16-17-14/h4-8,10,13,15,18H,3,9H2,1-2H3,(H,16,17)
InChIKeyGJLYTHYDRJPYEN-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.56
Rot. Bonds7

About 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide

4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106055074) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
PubChem CID106055074
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
SMILESCCC(NS(=O)(=O)c1[nH]ncc1CNC)c1ccccc1
InChIInChI=1S/C14H20N4O2S/c1-3-13(11-7-5-4-6-8-11)18-21(19,20)14-12(9-15-2)10-16-17-14/h4-8,10,13,15,18H,3,9H2,1-2H3,(H,16,17)
InChIKeyGJLYTHYDRJPYEN-UHFFFAOYSA-N
XLogP1.56
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylaminomethyl)-N-(1-thiophen-2-ylpropyl)-1H-pyrazole-5-sulfonamide
CID 106053436
4-(methylaminomethyl)-N-(2-methylpentan-3-yl)-1H-pyrazole-5-sulfonamide
CID 106018839
4-(methylaminomethyl)-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-sulfonamide
CID 106022701
N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide
CID 102692933
4-(methylaminomethyl)-N-[1-(5-methylfuran-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 106003395
N-(4-chlorophenyl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106060777
N-(1-methoxy-3-methylbutan-2-yl)-4-(methylaminomethyl)-1H-pyrazole-5-sulfonamide
CID 106068722
N-[(1S)-1-phenylpropyl]methanesulfonamide
CID 11321835
2-chloro-N-(1-phenylpropyl)pyridine-3-sulfonamide
CID 62304203
4-(methylaminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)-1H-pyrazole-5-sulfonamide
CID 102915821
4-(methylaminomethyl)-N-pentyl-1H-pyrazole-5-sulfonamide
CID 106058193
N-[1-(4-chlorophenyl)propyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61275711

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide (CID 106055074) is 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide is CCC(NS(=O)(=O)c1[nH]ncc1CNC)c1ccccc1.
What is the InChIKey of 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is GJLYTHYDRJPYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-3-13(11-7-5-4-6-8-11)18-21(19,20)14-12(9-15-2)10-16-17-14/h4-8,10,13,15,18H,3,9H2,1-2H3,(H,16,17).
What are the key properties of 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide?
4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(1-phenylpropyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106055074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).