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

C23H25N3O3 — CID 42755284

IUPAC(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)OC(C)C3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-14-25(15-17(2)29-16)23(27)22-13-21(18-9-11-20(28-3)12-10-18)24-26(22)19-7-5-4-6-8-19/h4-13,16-17H,14-15H2,1-3H3
InChIKeyNKNJPNZCPWWDQG-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.80
Rot. Bonds4

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

(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone (PubChem CID 42755284) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
PubChem CID42755284
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CC(C)OC(C)C3)n(-c3ccccc3)n2)cc1
InChIInChI=1S/C23H25N3O3/c1-16-14-25(15-17(2)29-16)23(27)22-13-21(18-9-11-20(28-3)12-10-18)24-26(22)19-7-5-4-6-8-19/h4-13,16-17H,14-15H2,1-3H3
InChIKeyNKNJPNZCPWWDQG-UHFFFAOYSA-N
XLogP3.80
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 7328385
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 42759699
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]methanone
CID 7283540
[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 812015
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 42754732
[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3953620
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
ethyl 1-[3-(4-methoxyphenyl)-1-phenylpyrazole-5-carbonyl]piperidine-4-carboxylate
CID 5145752
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 7693946
[3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3919711
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-phenylpyrazol-5-yl]methanone
CID 7265359

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone (CID 42755284) is (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone is COc1ccc(-c2cc(C(=O)N3CC(C)OC(C)C3)n(-c3ccccc3)n2)cc1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone?
The InChIKey is NKNJPNZCPWWDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-14-25(15-17(2)29-16)23(27)22-13-21(18-9-11-20(28-3)12-10-18)24-26(22)19-7-5-4-6-8-19/h4-13,16-17H,14-15H2,1-3H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone has a molecular weight of 391.47 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone is sourced from PubChem (CID 42755284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).