N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide

C22H31FN4O3S — CID 55978255

IUPACN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C22H31FN4O3S/c1-26(22(28)18-9-7-13-27(16-18)31(2,29)30)12-5-3-4-11-20-15-21(25-24-20)17-8-6-10-19(23)14-17/h6,8,10,14-15,18H,3-5,7,9,11-13,16H2,1-2H3,(H,24,25)
InChIKeyZOEYXAFWCZDZAY-UHFFFAOYSA-N
MW450.58 g/mol
LogP3.06
Rot. Bonds9

About N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 55978255) has the molecular formula C22H31FN4O3S and a molecular weight of 450.58 g/mol. Its IUPAC name is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID55978255
Molecular FormulaC22H31FN4O3S
Molecular Weight450.58 g/mol
Exact Mass450.21
IUPAC NameN-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide
SMILESCN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C22H31FN4O3S/c1-26(22(28)18-9-7-13-27(16-18)31(2,29)30)12-5-3-4-11-20-15-21(25-24-20)17-8-6-10-19(23)14-17/h6,8,10,14-15,18H,3-5,7,9,11-13,16H2,1-2H3,(H,24,25)
InChIKeyZOEYXAFWCZDZAY-UHFFFAOYSA-N
XLogP3.06
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.58
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylpiperidine-3-carboxamide
CID 119301819
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 55976698
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119746043
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 55977873
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(2-oxopyrrolidin-1-yl)benzamide
CID 55976056
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-(methylsulfamoyl)benzamide
CID 55975551
1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 55994752
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-2-(1H-indol-3-yl)-N-methylacetamide
CID 55975546
N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119744612
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-4-methylsulfonylbenzenesulfonamide
CID 55986241
1-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-1-methyl-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 55994619
2-(4-aminophenyl)-N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methylacetamide
CID 119746046

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide (CID 55978255) is N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide is CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)C1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is ZOEYXAFWCZDZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4O3S/c1-26(22(28)18-9-7-13-27(16-18)31(2,29)30)12-5-3-4-11-20-15-21(25-24-20)17-8-6-10-19(23)14-17/h6,8,10,14-15,18H,3-5,7,9,11-13,16H2,1-2H3,(H,24,25).
What are the key properties of N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide?
N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]pentyl]-N-methyl-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 55978255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).