N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide

C16H24FN7O2S — CID 59144691

IUPACN-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C16H24FN7O2S/c1-27(25,26)21-15-12-20-24(13-15)5-3-2-4-22-6-8-23(9-7-22)16-18-10-14(17)11-19-16/h10-13,21H,2-9H2,1H3
InChIKeyIPODENOOENNRJY-UHFFFAOYSA-N
MW397.48 g/mol
LogP0.79
Rot. Bonds8

About N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide

N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide (PubChem CID 59144691) has the molecular formula C16H24FN7O2S and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide
PubChem CID59144691
Molecular FormulaC16H24FN7O2S
Molecular Weight397.48 g/mol
Exact Mass397.17
IUPAC NameN-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1
InChIInChI=1S/C16H24FN7O2S/c1-27(25,26)21-15-12-20-24(13-15)5-3-2-4-22-6-8-23(9-7-22)16-18-10-14(17)11-19-16/h10-13,21H,2-9H2,1H3
InChIKeyIPODENOOENNRJY-UHFFFAOYSA-N
XLogP0.79
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide (CID 59144691) is N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide is CS(=O)(=O)Nc1cnn(CCCCN2CCN(c3ncc(F)cn3)CC2)c1.
What is the InChIKey of N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide?
The InChIKey is IPODENOOENNRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN7O2S/c1-27(25,26)21-15-12-20-24(13-15)5-3-2-4-22-6-8-23(9-7-22)16-18-10-14(17)11-19-16/h10-13,21H,2-9H2,1H3.
What are the key properties of N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide?
N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide has a molecular weight of 397.48 g/mol, XLogP of 0.79, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butyl]pyrazol-4-yl]methanesulfonamide is sourced from PubChem (CID 59144691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).