[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone

C22H22ClN3O2 — CID 3953620

IUPAC[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3Cl)nn2-c2ccccc2)CC(C)O1
InChIInChI=1S/C22H22ClN3O2/c1-15-13-25(14-16(2)28-15)22(27)21-12-20(18-10-6-7-11-19(18)23)24-26(21)17-8-4-3-5-9-17/h3-12,15-16H,13-14H2,1-2H3
InChIKeyBZGFISAVRXGKJJ-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.44
Rot. Bonds3

About [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone

[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone (PubChem CID 3953620) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
PubChem CID3953620
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3Cl)nn2-c2ccccc2)CC(C)O1
InChIInChI=1S/C22H22ClN3O2/c1-15-13-25(14-16(2)28-15)22(27)21-12-20(18-10-6-7-11-19(18)23)24-26(21)17-8-4-3-5-9-17/h3-12,15-16H,13-14H2,1-2H3
InChIKeyBZGFISAVRXGKJJ-UHFFFAOYSA-N
XLogP4.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]methanone
CID 7283540
1-[3-(2-chlorophenyl)-1-(4-methylphenyl)pyrazole-5-carbonyl]piperidine-4-carboxamide
CID 42759343
[1-(3-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3587198
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2R,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499175
[1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazol-5-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 7499176
[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 42759370
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 42759317
3-(2-chlorophenyl)-N-cyclohexyl-1-phenylpyrazole-5-carboxamide
CID 4521775
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]methanone
CID 7283089
ethyl 4-[3-(2-chlorophenyl)-1-(4-fluorophenyl)pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 42759373

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone (CID 3953620) is [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone is CC1CN(C(=O)c2cc(-c3ccccc3Cl)nn2-c2ccccc2)CC(C)O1.
What is the InChIKey of [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
The InChIKey is BZGFISAVRXGKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-15-13-25(14-16(2)28-15)22(27)21-12-20(18-10-6-7-11-19(18)23)24-26(21)17-8-4-3-5-9-17/h3-12,15-16H,13-14H2,1-2H3.
What are the key properties of [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone?
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone has a molecular weight of 395.89 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 3953620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).