[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

C20H23BrN4O3 — CID 39557320

IUPAC[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H23BrN4O3/c21-16-3-1-14(2-4-16)17-13-18(23-22-17)20(27)24-7-5-15(6-8-24)19(26)25-9-11-28-12-10-25/h1-4,13,15H,5-12H2,(H,22,23)
InChIKeyYNMZFTCKDFXKJP-UHFFFAOYSA-N
MW447.33 g/mol
LogP2.55
Rot. Bonds3

About [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone

[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (PubChem CID 39557320) has the molecular formula C20H23BrN4O3 and a molecular weight of 447.33 g/mol. Its IUPAC name is [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
PubChem CID39557320
Molecular FormulaC20H23BrN4O3
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC Name[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C20H23BrN4O3/c21-16-3-1-14(2-4-16)17-13-18(23-22-17)20(27)24-7-5-15(6-8-24)19(26)25-9-11-28-12-10-25/h1-4,13,15H,5-12H2,(H,22,23)
InChIKeyYNMZFTCKDFXKJP-UHFFFAOYSA-N
XLogP2.55
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-bromophenyl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 38549380
1-[4-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 55867230
N-(1,3-benzodioxol-5-yl)-1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 39448224
[3-(4-bromophenyl)-1H-pyrazol-5-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 24672014
[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
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087557
1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119250701
[3-(2,3-dihydro-1-benzofuran-5-yl)-1H-pyrazol-5-yl]-morpholin-4-ylmethanone
CID 71828704
3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 38489921
4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-oxazepane-6-carboxylic acid
CID 138384797
2,3-dihydroindol-1-yl-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087516

Frequently Asked Questions

What is the IUPAC name of [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone (CID 39557320) is [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YNMZFTCKDFXKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O3/c21-16-3-1-14(2-4-16)17-13-18(23-22-17)20(27)24-7-5-15(6-8-24)19(26)25-9-11-28-12-10-25/h1-4,13,15H,5-12H2,(H,22,23).
What are the key properties of [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone?
[1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 447.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 39557320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).