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

C22H27N5O3 — CID 97343087

IUPAC(1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
SMILESCOc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3cc(C)n(C)n3)c2C)c1
InChIInChI=1S/C22H27N5O3/c1-14-11-19(24-25(14)4)22(28)26-9-10-30-13-20(26)21-15(2)23-27(16(21)3)17-7-6-8-18(12-17)29-5/h6-8,11-12,20H,9-10,13H2,1-5H3/t20-/m1/s1
InChIKeyOMAJTUDHSPQAID-HXUWFJFHSA-N
MW409.49 g/mol
LogP2.75
Rot. Bonds4

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

(1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone (PubChem CID 97343087) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
PubChem CID97343087
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name(1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
SMILESCOc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3cc(C)n(C)n3)c2C)c1
InChIInChI=1S/C22H27N5O3/c1-14-11-19(24-25(14)4)22(28)26-9-10-30-13-20(26)21-15(2)23-27(16(21)3)17-7-6-8-18(12-17)29-5/h6-8,11-12,20H,9-10,13H2,1-5H3/t20-/m1/s1
InChIKeyOMAJTUDHSPQAID-HXUWFJFHSA-N
XLogP2.75
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.75
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
[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 75473726
2-methoxy-1-[(3R)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]ethanone
CID 97343069
3-[3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 122066754
(1,5-dimethylpyrazol-3-yl)-[(3R)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343134
[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 75473685
(2-methylphenyl)-[3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 75471264
(1,5-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343102
1-[3-(3,5-dimethyl-1-phenylpyrazol-4-yl)morpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 75473692
2-phenoxy-1-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]ethanone
CID 97256182
(2,3-difluorophenyl)-[(3S)-3-(1,3,5-trimethylpyrazol-4-yl)morpholin-4-yl]methanone
CID 97332849
(1,3-dimethylpyrazol-4-yl)-[(3S)-3-[1-(2-fluorophenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone
CID 97343105

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone?
The IUPAC name of (1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone (CID 97343087) is (1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone.
What is the SMILES notation for (1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone?
The canonical SMILES for (1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone is COc1cccc(-n2nc(C)c([C@H]3COCCN3C(=O)c3cc(C)n(C)n3)c2C)c1.
What is the InChIKey of (1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone?
The InChIKey is OMAJTUDHSPQAID-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-14-11-19(24-25(14)4)22(28)26-9-10-30-13-20(26)21-15(2)23-27(16(21)3)17-7-6-8-18(12-17)29-5/h6-8,11-12,20H,9-10,13H2,1-5H3/t20-/m1/s1.
What are the key properties of (1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone?
(1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone has a molecular weight of 409.49 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethylpyrazol-3-yl)-[(3S)-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 97343087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).