3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

C20H28N4O2 — CID 86984169

IUPAC3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCOC(C)(C)C1
InChIInChI=1S/C20H28N4O2/c1-15-19(16(2)24(22-15)17-8-6-5-7-9-17)21-18(25)10-11-23-12-13-26-20(3,4)14-23/h5-9H,10-14H2,1-4H3,(H,21,25)
InChIKeyMVLNRPMADWZJMD-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.93
Rot. Bonds5

About 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide

3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (PubChem CID 86984169) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
PubChem CID86984169
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCOC(C)(C)C1
InChIInChI=1S/C20H28N4O2/c1-15-19(16(2)24(22-15)17-8-6-5-7-9-17)21-18(25)10-11-23-12-13-26-20(3,4)14-23/h5-9H,10-14H2,1-4H3,(H,21,25)
InChIKeyMVLNRPMADWZJMD-UHFFFAOYSA-N
XLogP2.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-cyclohexyloxypiperidin-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 86873912
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CID 75463129
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propanamide
CID 55628035
(2R)-1-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119914202
3-[4-(4-cyanophenyl)-1,4-diazepan-1-yl]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 55849819
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propanamide
CID 55566069
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[2-hydroxyethyl(methyl)amino]propanamide
CID 110935836
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]propanamide
CID 55565686
N-(4-bromo-3-methylphenyl)-3-(2,2-dimethylmorpholin-4-yl)propanamide
CID 21148317
2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8904097
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
(3S)-2-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-3-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide (CID 86984169) is 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN1CCOC(C)(C)C1.
What is the InChIKey of 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
The InChIKey is MVLNRPMADWZJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-15-19(16(2)24(22-15)17-8-6-5-7-9-17)21-18(25)10-11-23-12-13-26-20(3,4)14-23/h5-9H,10-14H2,1-4H3,(H,21,25).
What are the key properties of 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide?
3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide has a molecular weight of 356.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylmorpholin-4-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 86984169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).