[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone

C14H14BrN3O2 — CID 38549380

IUPAC[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCOCC1
InChIInChI=1S/C14H14BrN3O2/c15-11-3-1-10(2-4-11)12-9-13(17-16-12)14(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H,16,17)
InChIKeyGZDMRQMMWPYWRA-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.31
Rot. Bonds2

About [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone

[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 38549380) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
PubChem CID38549380
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCOCC1
InChIInChI=1S/C14H14BrN3O2/c15-11-3-1-10(2-4-11)12-9-13(17-16-12)14(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H,16,17)
InChIKeyGZDMRQMMWPYWRA-UHFFFAOYSA-N
XLogP2.31
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 39557320
1-[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867230
1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250701
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 24672014
[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 71828704
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 20953293
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 20918077
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone
CID 20906605
(5-bromofuran-2-yl)-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910900
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[(3S,4S)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 99779521
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-[3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 91653266
N-(1,3-benzodioxol-5-yl)-1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 39448224

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone (CID 38549380) is [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCOCC1.
What is the InChIKey of [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is GZDMRQMMWPYWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c15-11-3-1-10(2-4-11)12-9-13(17-16-12)14(19)18-5-7-20-8-6-18/h1-4,9H,5-8H2,(H,16,17).
What are the key properties of [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone?
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 336.19 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 38549380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).