N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide

C10H18N4O3S — CID 47267718

IUPACN,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c1-3-14(4-2)10(15)5-6-13-18(16,17)9-7-11-12-8-9/h7-8,13H,3-6H2,1-2H3,(H,11,12)
InChIKeySLOABHUSPBSFML-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.05
Rot. Bonds7

About N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide

N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide (PubChem CID 47267718) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
PubChem CID47267718
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC NameN,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide
SMILESCCN(CC)C(=O)CCNS(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C10H18N4O3S/c1-3-14(4-2)10(15)5-6-13-18(16,17)9-7-11-12-8-9/h7-8,13H,3-6H2,1-2H3,(H,11,12)
InChIKeySLOABHUSPBSFML-UHFFFAOYSA-N
XLogP-0.05
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide?
The IUPAC name of N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide (CID 47267718) is N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide.
What is the SMILES notation for N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide?
The canonical SMILES for N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide is CCN(CC)C(=O)CCNS(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide?
The InChIKey is SLOABHUSPBSFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-3-14(4-2)10(15)5-6-13-18(16,17)9-7-11-12-8-9/h7-8,13H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide?
N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide has a molecular weight of 274.35 g/mol, XLogP of -0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(1H-pyrazol-4-ylsulfonylamino)propanamide is sourced from PubChem (CID 47267718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).