[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone

C14H14ClN3O2 — CID 25341652

IUPAC[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-10(2-4-11)13-12(9-16-17-13)14(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H,16,17)
InChIKeyMYUQDJIWHMONPE-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.20
Rot. Bonds2

About [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone

[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 25341652) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID25341652
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C14H14ClN3O2/c15-11-3-1-10(2-4-11)13-12(9-16-17-13)14(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H,16,17)
InChIKeyMYUQDJIWHMONPE-UHFFFAOYSA-N
XLogP2.20
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-piperidin-1-ylmethanone
CID 17424319
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 16596749
(4-benzhydrylpiperazin-1-yl)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methanone
CID 71824930
2-[4-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 24643673
[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrazol-4-yl]methanone
CID 24594848
N'-[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 16599836
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]methanone
CID 24682732
[5-(3-chloro-4-fluorophenyl)-1H-pyrazol-4-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 111824456
3-fluoro-N-[[4-[4-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]phenyl]methyl]benzamide
CID 92568482
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
(4-methylpiperazin-1-yl)-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 60712084
[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
CID 46389343

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone (CID 25341652) is [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cn[nH]c1-c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is MYUQDJIWHMONPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-11-3-1-10(2-4-11)13-12(9-16-17-13)14(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H,16,17).
What are the key properties of [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone?
[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 291.74 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 25341652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).