[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

C21H25N5O3 — CID 75473726

IUPAC[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1cccc(-n2nc(C)c(C3COCCN3C(=O)c3cnn(C)c3)c2C)c1
InChIInChI=1S/C21H25N5O3/c1-14-20(15(2)26(23-14)17-6-5-7-18(10-17)28-4)19-13-29-9-8-25(19)21(27)16-11-22-24(3)12-16/h5-7,10-12,19H,8-9,13H2,1-4H3
InChIKeyYWCJBQVIDSNAFD-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.44
Rot. Bonds4

About [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone

[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 75473726) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID75473726
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC Name[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCOc1cccc(-n2nc(C)c(C3COCCN3C(=O)c3cnn(C)c3)c2C)c1
InChIInChI=1S/C21H25N5O3/c1-14-20(15(2)26(23-14)17-6-5-7-18(10-17)28-4)19-13-29-9-8-25(19)21(27)16-11-22-24(3)12-16/h5-7,10-12,19H,8-9,13H2,1-4H3
InChIKeyYWCJBQVIDSNAFD-UHFFFAOYSA-N
XLogP2.44
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343058
(1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343087
3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122066754
2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
CID 97343069
[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75473685
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 75473692
(1-methylpyrazol-4-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485259
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343105
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343102
(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
2-(3-acetylphenoxy)-1-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 75399303
(1-methylpyrazol-4-yl)-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)morpholin-4-yl]methanone
CID 110132598

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone (CID 75473726) is [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone is COc1cccc(-n2nc(C)c(C3COCCN3C(=O)c3cnn(C)c3)c2C)c1.
What is the InChIKey of [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is YWCJBQVIDSNAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14-20(15(2)26(23-14)17-6-5-7-18(10-17)28-4)19-13-29-9-8-25(19)21(27)16-11-22-24(3)12-16/h5-7,10-12,19H,8-9,13H2,1-4H3.
What are the key properties of [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone?
[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 395.46 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 75473726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).