(2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone

C23H25N3O2S — CID 166230935

IUPAC(2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
SMILESCCC1CN(C(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)CCS1
InChIInChI=1S/C23H25N3O2S/c1-3-20-16-25(13-14-29-20)23(27)21-15-22(17-9-11-19(28-2)12-10-17)26(24-21)18-7-5-4-6-8-18/h4-12,15,20H,3,13-14,16H2,1-2H3
InChIKeyQPLAMYIHCGHQAE-UHFFFAOYSA-N
MW407.54 g/mol
LogP4.52
Rot. Bonds5

About (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone

(2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone (PubChem CID 166230935) has the molecular formula C23H25N3O2S and a molecular weight of 407.54 g/mol. Its IUPAC name is (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone.

Molecular Properties

Compound Name(2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
PubChem CID166230935
Molecular FormulaC23H25N3O2S
Molecular Weight407.54 g/mol
Exact Mass407.17
IUPAC Name(2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
SMILESCCC1CN(C(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)CCS1
InChIInChI=1S/C23H25N3O2S/c1-3-20-16-25(13-14-29-20)23(27)21-15-22(17-9-11-19(28-2)12-10-17)26(24-21)18-7-5-4-6-8-18/h4-12,15,20H,3,13-14,16H2,1-2H3
InChIKeyQPLAMYIHCGHQAE-UHFFFAOYSA-N
XLogP4.52
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3-aminopiperidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone;hydrochloride
CID 119378655
[3-(dimethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 56560638
(2,2-dimethylpyrrolidin-1-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166189978
1-azaspiro[3.3]heptan-1-yl-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166221939
(3,3-dimethylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 48521996
(3-cyclopropylmorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone
CID 166188464
N-(2-hydroxyethyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 78888374
[5-[4-(aminomethyl)phenyl]-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone;hydrochloride
CID 21090864
[1,5-bis(4-methoxyphenyl)pyrazol-3-yl]-(2-methoxyphenyl)methanone
CID 14871128
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-propan-2-ylpyrazole-3-carboxamide
CID 166208629
5-(4-methoxyphenyl)-N-methyl-1-phenyl-N-(2-pyrrolidin-1-ylethyl)pyrazole-3-carboxamide
CID 56509594
N-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole-3-carboxamide
CID 52650371

Frequently Asked Questions

What is the IUPAC name of (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
The IUPAC name of (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone (CID 166230935) is (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone.
What is the SMILES notation for (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
The canonical SMILES for (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone is CCC1CN(C(=O)c2cc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)CCS1.
What is the InChIKey of (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
The InChIKey is QPLAMYIHCGHQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2S/c1-3-20-16-25(13-14-29-20)23(27)21-15-22(17-9-11-19(28-2)12-10-17)26(24-21)18-7-5-4-6-8-18/h4-12,15,20H,3,13-14,16H2,1-2H3.
What are the key properties of (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone?
(2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone has a molecular weight of 407.54 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylthiomorpholin-4-yl)-[5-(4-methoxyphenyl)-1-phenylpyrazol-3-yl]methanone is sourced from PubChem (CID 166230935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).