5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide

C18H22FN3O3 — CID 25274700

IUPAC5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC[C@@H]1CCCCO1)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C18H22FN3O3/c19-15-6-1-2-7-17(15)25-12-13-11-16(22-21-13)18(23)20-9-8-14-5-3-4-10-24-14/h1-2,6-7,11,14H,3-5,8-10,12H2,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyPULHDYKKEJMOTH-AWEZNQCLSA-N
MW347.39 g/mol
LogP2.82
Rot. Bonds7

About 5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide

5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 25274700) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID25274700
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide
SMILESO=C(NCC[C@@H]1CCCCO1)c1cc(COc2ccccc2F)[nH]n1
InChIInChI=1S/C18H22FN3O3/c19-15-6-1-2-7-17(15)25-12-13-11-16(22-21-13)18(23)20-9-8-14-5-3-4-10-24-14/h1-2,6-7,11,14H,3-5,8-10,12H2,(H,20,23)(H,21,22)/t14-/m0/s1
InChIKeyPULHDYKKEJMOTH-AWEZNQCLSA-N
XLogP2.82
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(2R)-oxan-2-yl]methyl]-5-(phenoxymethyl)-1H-pyrazole-3-carboxamide
CID 42519117
N-[(2,4-dihydroxyphenyl)methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56744159
N-[[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]methyl]-5-[(2-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 42596640
2-[(4-fluorophenoxy)methyl]-N-[2-[(2R)-oxan-2-yl]ethyl]-1,3-oxazole-4-carboxamide
CID 42395827
5-[(2-fluorophenoxy)methyl]-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-1H-pyrazole-3-carboxamide
CID 56747841
6-fluoro-N-[2-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 115497544
5-[(2-fluorophenoxy)methyl]-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56757095
5-(methylamino)-N-[2-(oxan-2-yl)ethyl]pyridine-2-carboxamide
CID 106000609
N-(3-hydroxypropyl)-5-[(2-methoxyphenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56760151
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
5,6-dichloro-N-[2-(oxan-2-yl)ethyl]pyridine-3-carboxamide
CID 103993210
4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide (CID 25274700) is 5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide is O=C(NCC[C@@H]1CCCCO1)c1cc(COc2ccccc2F)[nH]n1.
What is the InChIKey of 5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is PULHDYKKEJMOTH-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-15-6-1-2-7-17(15)25-12-13-11-16(22-21-13)18(23)20-9-8-14-5-3-4-10-24-14/h1-2,6-7,11,14H,3-5,8-10,12H2,(H,20,23)(H,21,22)/t14-/m0/s1.
What are the key properties of 5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide?
5-[(2-fluorophenoxy)methyl]-N-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 347.39 g/mol, XLogP of 2.82, 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-[2-[(2S)-oxan-2-yl]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 25274700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).