[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

C20H18BrN3O2 — CID 1343026

IUPAC[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C20H18BrN3O2/c21-16-8-6-15(7-9-16)19-18(20(25)23-10-12-26-13-11-23)14-24(22-19)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeyYCGAYXDTUJYZAH-UHFFFAOYSA-N
MW412.29 g/mol
LogP3.77
Rot. Bonds3

About [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone

[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 1343026) has the molecular formula C20H18BrN3O2 and a molecular weight of 412.29 g/mol. Its IUPAC name is [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
PubChem CID1343026
Molecular FormulaC20H18BrN3O2
Molecular Weight412.29 g/mol
Exact Mass411.06
IUPAC Name[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N1CCOCC1
InChIInChI=1S/C20H18BrN3O2/c21-16-8-6-15(7-9-16)19-18(20(25)23-10-12-26-13-11-23)14-24(22-19)17-4-2-1-3-5-17/h1-9,14H,10-13H2
InChIKeyYCGAYXDTUJYZAH-UHFFFAOYSA-N
XLogP3.77
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-morpholinophenyl)-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2811266
N-[2-(morpholin-4-yl)ethyl]-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 17469911
1-(4-methylphenyl)-N-(2-morpholin-4-ylethyl)-3-phenylpyrazole-4-carboxamide
CID 25664616
N-(2-methyl-2-morpholin-4-ylpropyl)-1-(4-methylphenyl)-3-phenylpyrazole-4-carboxamide
CID 45736384
3-(4-bromophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 876753
(3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)(piperidin-1-yl)methanone
CID 882738
1-[4-(4-bromobenzoyl)-1-(3-bromophenyl)-1H-pyrazol-3-yl]ethanone
CID 1214645
4-{[3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}morpholine
CID 1288955
N-(morpholine-4-carbothioyl)-1,3-diphenylpyrazole-4-carboxamide
CID 2333892
2-(4-Bromophenyl)-2,5-dihydro-7-phenyl-4H-pyrazolo[3,4-d]pyridazin-4-one
CID 6409093
(1,3-Diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 8107007
3-(4-methylphenyl)-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 17534262

Frequently Asked Questions

What is the IUPAC name of [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone (CID 1343026) is [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is O=C(c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N1CCOCC1.
What is the InChIKey of [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is YCGAYXDTUJYZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O2/c21-16-8-6-15(7-9-16)19-18(20(25)23-10-12-26-13-11-23)14-24(22-19)17-4-2-1-3-5-17/h1-9,14H,10-13H2.
What are the key properties of [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone?
[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 412.29 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 1343026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).