N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide

C16H21FN4O3S — CID 49087216

IUPACN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)Nc1cnn(CCN(C)C)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN4O3S/c1-12(25(23,24)15-6-4-13(17)5-7-15)16(22)19-14-10-18-21(11-14)9-8-20(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,19,22)
InChIKeyUXJBSPAZUDRBPU-UHFFFAOYSA-N
MW368.43 g/mol
LogP1.38
Rot. Bonds7

About N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide

N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide (PubChem CID 49087216) has the molecular formula C16H21FN4O3S and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide
PubChem CID49087216
Molecular FormulaC16H21FN4O3S
Molecular Weight368.43 g/mol
Exact Mass368.13
IUPAC NameN-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide
SMILESCC(C(=O)Nc1cnn(CCN(C)C)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C16H21FN4O3S/c1-12(25(23,24)15-6-4-13(17)5-7-15)16(22)19-14-10-18-21(11-14)9-8-20(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,19,22)
InChIKeyUXJBSPAZUDRBPU-UHFFFAOYSA-N
XLogP1.38
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide?
The IUPAC name of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide (CID 49087216) is N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide.
What is the SMILES notation for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide?
The canonical SMILES for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide is CC(C(=O)Nc1cnn(CCN(C)C)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide?
The InChIKey is UXJBSPAZUDRBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O3S/c1-12(25(23,24)15-6-4-13(17)5-7-15)16(22)19-14-10-18-21(11-14)9-8-20(2)3/h4-7,10-12H,8-9H2,1-3H3,(H,19,22).
What are the key properties of N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide?
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide has a molecular weight of 368.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-(4-fluorophenyl)sulfonylpropanamide is sourced from PubChem (CID 49087216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).