5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide

C18H21FN4O3 — CID 56757095

IUPAC5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
SMILESCCCN1CC(NC(=O)c2cc(COc3ccccc3F)[nH]n2)CC1=O
InChIInChI=1S/C18H21FN4O3/c1-2-7-23-10-12(9-17(23)24)20-18(25)15-8-13(21-22-15)11-26-16-6-4-3-5-14(16)19/h3-6,8,12H,2,7,9-11H2,1H3,(H,20,25)(H,21,22)
InChIKeySKTYXHXXEHXKKL-UHFFFAOYSA-N
MW360.39 g/mol
LogP1.87
Rot. Bonds7

About 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide

5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide (PubChem CID 56757095) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
PubChem CID56757095
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
SMILESCCCN1CC(NC(=O)c2cc(COc3ccccc3F)[nH]n2)CC1=O
InChIInChI=1S/C18H21FN4O3/c1-2-7-23-10-12(9-17(23)24)20-18(25)15-8-13(21-22-15)11-26-16-6-4-3-5-14(16)19/h3-6,8,12H,2,7,9-11H2,1H3,(H,20,25)(H,21,22)
InChIKeySKTYXHXXEHXKKL-UHFFFAOYSA-N
XLogP1.87
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56745517
N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-5-(2-methylpropyl)-1H-pyrazole-3-carboxamide
CID 56910590
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42596640
N-[(1,3-dimethylpyrrolidin-3-yl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56749691
2-[(4-fluorophenoxy)methyl]-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 95204805
3-(4-hydroxyphenyl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 136772131
5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 56747841
3-acetyl-N-[1-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 56911030
5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide
CID 25274700
N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56744159
5-[(2-fluorophenoxy)methyl]-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56755768
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56752617

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide (CID 56757095) is 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide is CCCN1CC(NC(=O)c2cc(COc3ccccc3F)[nH]n2)CC1=O.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is SKTYXHXXEHXKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-2-7-23-10-12(9-17(23)24)20-18(25)15-8-13(21-22-15)11-26-16-6-4-3-5-14(16)19/h3-6,8,12H,2,7,9-11H2,1H3,(H,20,25)(H,21,22).
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56757095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).