N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide

C16H20N4O3S — CID 51103233

IUPACN-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESNS(=O)(=O)c1cnn(CCC(=O)N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C16H20N4O3S/c17-24(22,23)15-10-18-19(12-15)9-8-16(21)20(14-6-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H2,17,22,23)
InChIKeyVDIMUZOPBOAADZ-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.11
Rot. Bonds7

About N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide

N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide (PubChem CID 51103233) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide
PubChem CID51103233
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC NameN-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide
SMILESNS(=O)(=O)c1cnn(CCC(=O)N(Cc2ccccc2)C2CC2)c1
InChIInChI=1S/C16H20N4O3S/c17-24(22,23)15-10-18-19(12-15)9-8-16(21)20(14-6-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H2,17,22,23)
InChIKeyVDIMUZOPBOAADZ-UHFFFAOYSA-N
XLogP1.11
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[benzyl(cyclopropyl)amino]-4-oxobutanoate
CID 60725115
6-amino-N-benzyl-N-cyclopropylhexanamide
CID 43579228
3-amino-N-benzyl-N-cycloheptylpropanamide
CID 39373340
N-cyclopropyl-3-methylsulfonyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 131928132
4-amino-N-benzyl-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65357630
1-benzyl-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]pyrazole-4-sulfonamide
CID 86870369
3-[4-[cyclopentyl(ethyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 43541006
N-[3-(ethylaminomethyl)phenyl]-3-(4-sulfamoylpyrazol-1-yl)propanamide
CID 119438203
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 87024531
N-benzyl-N-cyclopropyl-3,3-diphenylpropanamide
CID 55549162
N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 38253005
2-[benzyl-[3-(4-nitropyrazol-1-yl)propanoyl]amino]acetic acid
CID 119197065

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The IUPAC name of N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide (CID 51103233) is N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The canonical SMILES for N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide is NS(=O)(=O)c1cnn(CCC(=O)N(Cc2ccccc2)C2CC2)c1.
What is the InChIKey of N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide?
The InChIKey is VDIMUZOPBOAADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c17-24(22,23)15-10-18-19(12-15)9-8-16(21)20(14-6-7-14)11-13-4-2-1-3-5-13/h1-5,10,12,14H,6-9,11H2,(H2,17,22,23).
What are the key properties of N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide?
N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide has a molecular weight of 348.43 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopropyl-3-(4-sulfamoylpyrazol-1-yl)propanamide is sourced from PubChem (CID 51103233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).