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

C22H22FN3O2 — CID 42754732

IUPAC(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3F)nn2-c2ccccc2)CC(C)O1
InChIInChI=1S/C22H22FN3O2/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
InChIKeyQSFBMZYIQOYUKK-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.93
Rot. Bonds3

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

(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone (PubChem CID 42754732) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
PubChem CID42754732
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
SMILESCC1CN(C(=O)c2cc(-c3ccccc3F)nn2-c2ccccc2)CC(C)O1
InChIInChI=1S/C22H22FN3O2/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
InChIKeyQSFBMZYIQOYUKK-UHFFFAOYSA-N
XLogP3.93
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-chlorophenyl)-1-phenylpyrazol-5-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 3953620
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]methanone
CID 7283089
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]methanone
CID 7283540
(4-ethylpiperazin-1-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone
CID 3945293
(2,6-dimethylmorpholin-4-yl)-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]methanone
CID 42755284
[3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazol-5-yl]-pyrrolidin-1-ylmethanone
CID 42759128
[2-(4-chlorophenyl)-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 42877639
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(4-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-5-yl]methanone
CID 7328385
(2-methylmorpholin-4-yl)-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 17491687
(3-cyclopropyl-1-phenylpyrazol-5-yl)-[(2R)-2-methylmorpholin-4-yl]methanone
CID 51487785
(2,6-dimethylmorpholin-4-yl)-[3-(furan-2-yl)-1-(3-methylphenyl)pyrazol-5-yl]methanone
CID 5233267
[(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-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone (CID 42754732) is (2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone is CC1CN(C(=O)c2cc(-c3ccccc3F)nn2-c2ccccc2)CC(C)O1.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone?
The InChIKey is QSFBMZYIQOYUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/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 (2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone?
(2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone has a molecular weight of 379.44 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[3-(2-fluorophenyl)-1-phenylpyrazol-5-yl]methanone is sourced from PubChem (CID 42754732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).