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

C19H25N3O2 — CID 45234451

IUPAC1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCOC(Cc3ccccc3)C2)c1C
InChIInChI=1S/C19H25N3O2/c1-14-15(2)20-21-18(14)8-9-19(23)22-10-11-24-17(13-22)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,20,21)
InChIKeyAKOGOIVZMPKPTM-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.43
Rot. Bonds5

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

1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (PubChem CID 45234451) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
PubChem CID45234451
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCOC(Cc3ccccc3)C2)c1C
InChIInChI=1S/C19H25N3O2/c1-14-15(2)20-21-18(14)8-9-19(23)22-10-11-24-17(13-22)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,20,21)
InChIKeyAKOGOIVZMPKPTM-UHFFFAOYSA-N
XLogP2.43
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The IUPAC name of 1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one (CID 45234451) is 1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is Cc1[nH]nc(CCC(=O)N2CCOC(Cc3ccccc3)C2)c1C.
What is the InChIKey of 1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
The InChIKey is AKOGOIVZMPKPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-15(2)20-21-18(14)8-9-19(23)22-10-11-24-17(13-22)12-16-6-4-3-5-7-16/h3-7,17H,8-13H2,1-2H3,(H,20,21).
What are the key properties of 1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one?
1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one has a molecular weight of 327.43 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzylmorpholin-4-yl)-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one is sourced from PubChem (CID 45234451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).