3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one

C18H23N3O2 — CID 71700852

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H23N3O2/c1-13-16(14(2)20-19-13)8-9-18(22)21-10-11-23-17(12-21)15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3,(H,19,20)
InChIKeyDVBTVVKFEMBSPT-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.56
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one (PubChem CID 71700852) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
PubChem CID71700852
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
SMILESCc1n[nH]c(C)c1CCC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C18H23N3O2/c1-13-16(14(2)20-19-13)8-9-18(22)21-10-11-23-17(12-21)15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3,(H,19,20)
InChIKeyDVBTVVKFEMBSPT-UHFFFAOYSA-N
XLogP2.56
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-pyridin-4-ylmorpholin-4-yl)propan-1-one
CID 110102568
(2R)-N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-phenylmorpholine-4-carboxamide
CID 126441433
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-methyl-6-phenylmorpholin-4-yl)propan-1-one
CID 146086488
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 86790075
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
1-(2-phenylmorpholin-4-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-one
CID 134040069
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
CID 95141971
2,4-dimethyl-5-[3-oxo-3-[(2R)-2-phenylmorpholin-4-yl]propyl]-1H-pyrimidin-6-one
CID 136882935
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(3-methyl-2-phenylazetidin-1-yl)propan-1-one
CID 146089571
3-amino-1-(2-phenylmorpholin-4-yl)propan-1-one;hydrochloride
CID 119278810
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-1-[2-(4-fluorophenyl)morpholin-4-yl]propan-1-one
CID 134044274
(4-amino-5-methyl-1H-pyrazol-3-yl)-(2-phenylmorpholin-4-yl)methanone
CID 62082120

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one (CID 71700852) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one is Cc1n[nH]c(C)c1CCC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
The InChIKey is DVBTVVKFEMBSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-16(14(2)20-19-13)8-9-18(22)21-10-11-23-17(12-21)15-6-4-3-5-7-15/h3-7,17H,8-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one has a molecular weight of 313.40 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 71700852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).