3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one

C19H25N3O2 — CID 48689278

IUPAC3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2cnn(-c3ccccc3)c2)CC(C)(C)O1
InChIInChI=1S/C19H25N3O2/c1-15-12-21(14-19(2,3)24-15)18(23)10-9-16-11-20-22(13-16)17-7-5-4-6-8-17/h4-8,11,13,15H,9-10,12,14H2,1-3H3
InChIKeyIRDMTBAPJZUDCK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.83
Rot. Bonds4

About 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one

3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one (PubChem CID 48689278) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
PubChem CID48689278
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)CCc2cnn(-c3ccccc3)c2)CC(C)(C)O1
InChIInChI=1S/C19H25N3O2/c1-15-12-21(14-19(2,3)24-15)18(23)10-9-16-11-20-22(13-16)17-7-5-4-6-8-17/h4-8,11,13,15H,9-10,12,14H2,1-3H3
InChIKeyIRDMTBAPJZUDCK-UHFFFAOYSA-N
XLogP2.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-1-[3-(1-phenylpyrazol-4-yl)propanoyl]piperidine-3-carboxylic acid
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1-(4-cyclopentylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
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1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one;hydrochloride
CID 119635459
1-[(2R)-4-ethyl-2-methylpiperazin-1-yl]-3-(1-phenylpyrazol-4-yl)propan-1-one
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3-(1-phenylpyrazol-4-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 75524878
1-(4-anilinopiperidin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
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tert-butyl 4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazine-1-carboxylate
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1-(4-methyl-2-phenylpiperazin-1-yl)-3-(1-phenylpyrazol-4-yl)propan-1-one
CID 46458650
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 49170952
N-ethyl-2-[4-[3-(1-phenylpyrazol-4-yl)propanoyl]piperazin-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one (CID 48689278) is 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)CCc2cnn(-c3ccccc3)c2)CC(C)(C)O1.
What is the InChIKey of 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The InChIKey is IRDMTBAPJZUDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-15-12-21(14-19(2,3)24-15)18(23)10-9-16-11-20-22(13-16)17-7-5-4-6-8-17/h4-8,11,13,15H,9-10,12,14H2,1-3H3.
What are the key properties of 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylpyrazol-4-yl)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 48689278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).