N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

C18H25FN4O2S — CID 156604706

IUPACN-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCCC1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1NS(C)(=O)=O
InChIInChI=1S/C18H25FN4O2S/c1-3-4-14-10-23(12-17(14)22-26(2,24)25)11-15-9-20-21-18(15)13-5-7-16(19)8-6-13/h5-9,14,17,22H,3-4,10-12H2,1-2H3,(H,20,21)
InChIKeyHQDHRTQAYVBGBT-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.37
Rot. Bonds7

About N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide

N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (PubChem CID 156604706) has the molecular formula C18H25FN4O2S and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
PubChem CID156604706
Molecular FormulaC18H25FN4O2S
Molecular Weight380.49 g/mol
Exact Mass380.17
IUPAC NameN-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
SMILESCCCC1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1NS(C)(=O)=O
InChIInChI=1S/C18H25FN4O2S/c1-3-4-14-10-23(12-17(14)22-26(2,24)25)11-15-9-20-21-18(15)13-5-7-16(19)8-6-13/h5-9,14,17,22H,3-4,10-12H2,1-2H3,(H,20,21)
InChIKeyHQDHRTQAYVBGBT-UHFFFAOYSA-N
XLogP2.37
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122125464
N-[(3R,4S)-1-[3-(4-fluorophenyl)propanoyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 72861405
N-[(3S,4R)-1-[[5-(1,5-dimethylpyrrol-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70726445
ethyl (3S)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxylate
CID 41315370
[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol
CID 91915686
2-[(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethanol
CID 30673490
1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidine-3-carboxamide
CID 4528395
(2S)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]morpholine-2-carboxylic acid
CID 95871666
N-[(3S,4R)-4-propyl-1-(3-pyrazol-1-ylpropyl)pyrrolidin-3-yl]methanesulfonamide
CID 133118794
N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide
CID 70742263
[(3S,5R)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-5-(pyrrolidin-1-ylmethyl)piperidin-3-yl]methanol
CID 70719647
3-(4-fluorophenyl)-1-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]azetidin-3-ol
CID 126799650

Frequently Asked Questions

What is the IUPAC name of N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide (CID 156604706) is N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is CCCC1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1NS(C)(=O)=O.
What is the InChIKey of N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
The InChIKey is HQDHRTQAYVBGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2S/c1-3-4-14-10-23(12-17(14)22-26(2,24)25)11-15-9-20-21-18(15)13-5-7-16(19)8-6-13/h5-9,14,17,22H,3-4,10-12H2,1-2H3,(H,20,21).
What are the key properties of N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide?
N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide has a molecular weight of 380.49 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-4-propylpyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 156604706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).