[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone

C20H18FN3O2 — CID 47021892

IUPAC[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H18FN3O2/c21-16-8-6-15(7-9-16)19-17(12-22-23-19)20(25)24-10-11-26-18(13-24)14-4-2-1-3-5-14/h1-9,12,18H,10-11,13H2,(H,22,23)
InChIKeyKTUDXMCPQDWDGP-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.43
Rot. Bonds3

About [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone

[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone (PubChem CID 47021892) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
PubChem CID47021892
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone
SMILESO=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C20H18FN3O2/c21-16-8-6-15(7-9-16)19-17(12-22-23-19)20(25)24-10-11-26-18(13-24)14-4-2-1-3-5-14/h1-9,12,18H,10-11,13H2,(H,22,23)
InChIKeyKTUDXMCPQDWDGP-UHFFFAOYSA-N
XLogP3.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 16011312
N-(3-fluorobenzyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 16011319
1-[3-(4-Fluorophenyl)-1H-pyrazole-4-carbonyl]-4-(2-phenoxyethoxy)piperidine
CID 124072298
N-(2-morpholin-4-ylethyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 162658317
ethyl 4-[[2-[(4-fluorophenyl)methyl]morpholin-4-yl]methyl]-1H-pyrazole-5-carboxylate
CID 45225589
2-(4-fluorobenzyl)-4-[(3-methyl-1H-pyrazol-4-yl)carbonyl]morpholine
CID 45227096
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 45864181
2-ethoxy-N-(1-(3-(4-fluorophenyl)-1H-pyrazole-4-carbonyl)piperidin-4-yl)benzamide
CID 49665625
5-(3-fluorophenyl)-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 50976064
5-(3-fluorophenyl)-N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 70708292
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-5-methyl-N-(2-methylpropyl)-1H-pyrazole-4-carboxamide
CID 71848878
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 91918276

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone (CID 47021892) is [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone is O=C(c1cn[nH]c1-c1ccc(F)cc1)N1CCOC(c2ccccc2)C1.
What is the InChIKey of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is KTUDXMCPQDWDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-16-8-6-15(7-9-16)19-17(12-22-23-19)20(25)24-10-11-26-18(13-24)14-4-2-1-3-5-14/h1-9,12,18H,10-11,13H2,(H,22,23).
What are the key properties of [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone?
[5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 351.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-pyrazol-4-yl]-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 47021892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).