[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone

C20H18FN3O2 — CID 56742746

IUPAC[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone
SMILESO=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCC1c1ccccc1
InChIInChI=1S/C20H18FN3O2/c21-15-7-4-8-17(11-15)26-13-16-12-18(23-22-16)20(25)24-10-9-19(24)14-5-2-1-3-6-14/h1-8,11-12,19H,9-10,13H2,(H,22,23)
InChIKeyAKYJGUPWIBGNAV-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.71
Rot. Bonds5

About [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone

[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone (PubChem CID 56742746) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone
PubChem CID56742746
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone
SMILESO=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCC1c1ccccc1
InChIInChI=1S/C20H18FN3O2/c21-15-7-4-8-17(11-15)26-13-16-12-18(23-22-16)20(25)24-10-9-19(24)14-5-2-1-3-6-14/h1-8,11-12,19H,9-10,13H2,(H,22,23)
InChIKeyAKYJGUPWIBGNAV-UHFFFAOYSA-N
XLogP3.71
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[5-(phenoxymethyl)-1H-pyrazol-3-yl]methanone
CID 95217455
(2R)-1-[5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]-2-methyl-1,4-diazepan-5-one
CID 95202181
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(3-morpholin-4-ylazetidin-1-yl)methanone
CID 56749784
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-[(3S,4S)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 56748579
1-[5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carbonyl]-1,4-diazepan-5-one
CID 56741863
1-[3-[[3-(2-pyridin-2-ylpyrrolidine-1-carbonyl)-1H-pyrazol-5-yl]methoxy]phenyl]ethanone
CID 45200993
5-[(3-fluorophenoxy)methyl]-N-methyl-N-[(1S)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 56747947
N-[(2,3-dimethylphenyl)methyl]-5-[(3-fluorophenoxy)methyl]-1H-pyrazole-3-carboxamide
CID 56755562
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(1R,2R)-2-hydroxycyclohexyl]-1H-pyrazole-3-carboxamide
CID 56750390
[2-(3-fluorophenyl)piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 120736320
5-[(3-fluorophenoxy)methyl]-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-3-carboxamide
CID 56739083
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922

Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone?
The IUPAC name of [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone (CID 56742746) is [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone.
What is the SMILES notation for [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone?
The canonical SMILES for [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone is O=C(c1cc(COc2cccc(F)c2)[nH]n1)N1CCC1c1ccccc1.
What is the InChIKey of [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone?
The InChIKey is AKYJGUPWIBGNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-15-7-4-8-17(11-15)26-13-16-12-18(23-22-16)20(25)24-10-9-19(24)14-5-2-1-3-6-14/h1-8,11-12,19H,9-10,13H2,(H,22,23).
What are the key properties of [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone?
[5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone has a molecular weight of 351.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenoxy)methyl]-1H-pyrazol-3-yl]-(2-phenylazetidin-1-yl)methanone is sourced from PubChem (CID 56742746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).