1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

C19H25N3O2 — CID 134040069

IUPAC1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-14-17(15(2)21(3)20-14)9-10-19(23)22-11-12-24-18(13-22)16-7-5-4-6-8-16/h4-8,18H,9-13H2,1-3H3
InChIKeyTUZWEKINXKBUAZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.57
Rot. Bonds4

About 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one

1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (PubChem CID 134040069) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
PubChem CID134040069
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
SMILESCc1nn(C)c(C)c1CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C19H25N3O2/c1-14-17(15(2)21(3)20-14)9-10-19(23)22-11-12-24-18(13-22)16-7-5-4-6-8-16/h4-8,18H,9-13H2,1-3H3
InChIKeyTUZWEKINXKBUAZ-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
CID 95141971
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71700852
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
3-[(3R)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidin-3-yl]benzoic acid
CID 97200814
1-[(2S)-2-phenylpyrrolidin-1-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 30664822
1-(2-phenylpyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 42940608
1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 63032850
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
3-(4-methylindol-1-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
CID 52900417
1-(4-hydroxy-4-phenylpiperidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 74231837

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one (CID 134040069) is 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is Cc1nn(C)c(C)c1CCC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
The InChIKey is TUZWEKINXKBUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-17(15(2)21(3)20-14)9-10-19(23)22-11-12-24-18(13-22)16-7-5-4-6-8-16/h4-8,18H,9-13H2,1-3H3.
What are the key properties of 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one?
1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 134040069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).