1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one

C25H26ClN5O4 — CID 58277368

IUPAC1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(OCCN4CCOCC4)c3)n(-c3cccc(Cl)c3)n2)CN1
InChIInChI=1S/C25H26ClN5O4/c26-19-4-2-5-20(14-19)31-23(15-22(28-31)25(33)30-16-24(32)27-17-30)18-3-1-6-21(13-18)35-12-9-29-7-10-34-11-8-29/h1-6,13-15H,7-12,16-17H2,(H,27,32)
InChIKeyPDTHBDOUIYFUPE-UHFFFAOYSA-N
MW495.97 g/mol
LogP2.43
Rot. Bonds7

About 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one

1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one (PubChem CID 58277368) has the molecular formula C25H26ClN5O4 and a molecular weight of 495.97 g/mol. Its IUPAC name is 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one.

Molecular Properties

Compound Name1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
PubChem CID58277368
Molecular FormulaC25H26ClN5O4
Molecular Weight495.97 g/mol
Exact Mass495.17
IUPAC Name1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
SMILESO=C1CN(C(=O)c2cc(-c3cccc(OCCN4CCOCC4)c3)n(-c3cccc(Cl)c3)n2)CN1
InChIInChI=1S/C25H26ClN5O4/c26-19-4-2-5-20(14-19)31-23(15-22(28-31)25(33)30-16-24(32)27-17-30)18-3-1-6-21(13-18)35-12-9-29-7-10-34-11-8-29/h1-6,13-15H,7-12,16-17H2,(H,27,32)
InChIKeyPDTHBDOUIYFUPE-UHFFFAOYSA-N
XLogP2.43
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.97
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
CID 58277357
1-[1-(3-chlorophenyl)-5-[3-[3-(dimethylamino)propoxy]phenyl]pyrazole-3-carbonyl]imidazolidin-4-one;formic acid
CID 67153505
1-[1-(3-chlorophenyl)-5-(3-phenylmethoxyphenyl)pyrazole-3-carbonyl]imidazolidine-4-carbaldehyde
CID 174610665
4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155546386
1-[3-(2-morpholin-4-ylethoxy)phenyl]-3-phenylpyrazol-5-amine
CID 161408608
1-[5-(3-chloro-5-fluorophenyl)-1-pyridin-2-ylpyrazole-3-carbonyl]imidazolidin-4-one
CID 71576484
4-[5-[3-fluoro-5-(trifluoromethoxy)phenyl]-1-pyridin-3-ylpyrazole-3-carbonyl]piperazin-2-one
CID 86574656
but-2-enedioic acid;4-[2-[3-(3-phenylpyrazolo[5,4-b]pyridin-1-yl)phenoxy]ethyl]morpholine
CID 67800771
4-[2-[3-(1H-pyrrol-2-yl)phenoxy]ethyl]morpholine
CID 141374478
2-[3-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 22687524
[1-(3-chlorophenyl)-5-(furan-2-yl)pyrazol-3-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38602656
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 53067825

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one?
The IUPAC name of 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one (CID 58277368) is 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one.
What is the SMILES notation for 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one?
The canonical SMILES for 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one is O=C1CN(C(=O)c2cc(-c3cccc(OCCN4CCOCC4)c3)n(-c3cccc(Cl)c3)n2)CN1.
What is the InChIKey of 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one?
The InChIKey is PDTHBDOUIYFUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O4/c26-19-4-2-5-20(14-19)31-23(15-22(28-31)25(33)30-16-24(32)27-17-30)18-3-1-6-21(13-18)35-12-9-29-7-10-34-11-8-29/h1-6,13-15H,7-12,16-17H2,(H,27,32).
What are the key properties of 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one?
1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one has a molecular weight of 495.97 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one is sourced from PubChem (CID 58277368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).