[(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C22H28N4O3 — CID 110305923

IUPAC[(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)N3CCOCC3)nn2C)cc1C
InChIInChI=1S/C22H28N4O3/c1-15-6-7-17(13-16(15)2)20-14-18(23-24(20)3)21(27)26-8-4-5-19(26)22(28)25-9-11-29-12-10-25/h6-7,13-14,19H,4-5,8-12H2,1-3H3/t19-/m0/s1
InChIKeyCIEXUELXZIVTCI-IBGZPJMESA-N
MW396.49 g/mol
LogP2.17
Rot. Bonds3

About [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110305923) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110305923
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name[(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)N3CCOCC3)nn2C)cc1C
InChIInChI=1S/C22H28N4O3/c1-15-6-7-17(13-16(15)2)20-14-18(23-24(20)3)21(27)26-8-4-5-19(26)22(28)25-9-11-29-12-10-25/h6-7,13-14,19H,4-5,8-12H2,1-3H3/t19-/m0/s1
InChIKeyCIEXUELXZIVTCI-IBGZPJMESA-N
XLogP2.17
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[1-[1-methyl-5-(4-methylphenyl)pyrazole-3-carbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 110619029
[1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 42814263
[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110336268
[5-(3,4-dimethylphenyl)-1-methylpyrazol-3-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110299488
1-(4-methylphenyl)-4-[(2S)-2-(morpholine-4-carbonyl)pyrrolidin-1-yl]butane-1,4-dione
CID 110305871
[5-(1,3-benzodioxol-5-yl)-1-methylpyrazol-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 110336870
3-(dimethylamino)-1-[4-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]piperazin-1-yl]propan-1-one
CID 110420398
[1-(furan-3-carbonyl)piperidin-2-yl]-morpholin-4-ylmethanone
CID 4089666
2-bromo-2-methyl-1-[2-(morpholine-4-carbonyl)pyrrolidin-1-yl]propan-1-one
CID 114328107
[(2S)-1-(3-fluorobenzoyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110285997
morpholin-4-yl-[1-(3-pyridin-3-ylbenzoyl)pyrrolidin-2-yl]methanone
CID 134801928
[(2S)-1-(8-fluoroquinoline-2-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 70739483

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110305923) is [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3C(=O)N3CCOCC3)nn2C)cc1C.
What is the InChIKey of [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is CIEXUELXZIVTCI-IBGZPJMESA-N. The full InChI is InChI=1S/C22H28N4O3/c1-15-6-7-17(13-16(15)2)20-14-18(23-24(20)3)21(27)26-8-4-5-19(26)22(28)25-9-11-29-12-10-25/h6-7,13-14,19H,4-5,8-12H2,1-3H3/t19-/m0/s1.
What are the key properties of [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 396.49 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110305923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).