1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone

C23H25N3O2 — CID 29182137

IUPAC1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)c1
InChIInChI=1S/C23H25N3O2/c1-18(27)19-4-2-5-20(16-19)21-6-3-7-22(17-21)23-8-9-26(24-23)11-10-25-12-14-28-15-13-25/h2-9,16-17H,10-15H2,1H3
InChIKeySLRQICGVSRRRDI-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.75
Rot. Bonds6

About 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone

1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone (PubChem CID 29182137) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone
PubChem CID29182137
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone
SMILESCC(=O)c1cccc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)c1
InChIInChI=1S/C23H25N3O2/c1-18(27)19-4-2-5-20(16-19)21-6-3-7-22(17-21)23-8-9-26(24-23)11-10-25-12-14-28-15-13-25/h2-9,16-17H,10-15H2,1H3
InChIKeySLRQICGVSRRRDI-UHFFFAOYSA-N
XLogP3.75
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-Tert-butyl-1-[(3-methylphenyl)methyl]pyrazol-5-yl]-morpholin-4-ylmethanone
CID 2747308
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
2-Phenyl-2-(5-phenyl-1-pyrazolyl)acetophenone
CID 319155
4-{[3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]carbonyl}morpholine
CID 1288955
4-biphenylyl{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone
CID 16187239
{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(2-fluoro-4-biphenylyl)methanone
CID 16190887
{1-[(1-methyl-1H-pyrazol-5-yl)carbonyl]piperidin-3-yl}(1-naphthyl)methanone
CID 16190944
2-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-quinolin-4-one
CID 155540568
(E)-1-phenyl-3-(1-phenyl-3-(pyridin-3-yl)-1H-pyrazol-4-yl)prop-2-en-1-one
CID 5337381
1-(4-Benzoyl-2-methylpiperazin-1-yl)-2-[4-(1-methylpyrazol-3-yl)phenyl]ethane-1,2-dione
CID 24994458

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone?
The IUPAC name of 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone (CID 29182137) is 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone.
What is the SMILES notation for 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone?
The canonical SMILES for 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone is CC(=O)c1cccc(-c2cccc(-c3ccn(CCN4CCOCC4)n3)c2)c1.
What is the InChIKey of 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone?
The InChIKey is SLRQICGVSRRRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-18(27)19-4-2-5-20(16-19)21-6-3-7-22(17-21)23-8-9-26(24-23)11-10-25-12-14-28-15-13-25/h2-9,16-17H,10-15H2,1H3.
What are the key properties of 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone?
1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone has a molecular weight of 375.47 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]phenyl]phenyl]ethanone is sourced from PubChem (CID 29182137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).