3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one

C20H27N3O2 — CID 56873630

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCOC(CCc3ccccc3)C2)c1C
InChIInChI=1S/C20H27N3O2/c1-15-16(2)21-22-19(15)10-11-20(24)23-12-13-25-18(14-23)9-8-17-6-4-3-5-7-17/h3-7,18H,8-14H2,1-2H3,(H,21,22)
InChIKeyMAZIJUIAVARDFK-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.82
Rot. Bonds6

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one (PubChem CID 56873630) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
PubChem CID56873630
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
SMILESCc1[nH]nc(CCC(=O)N2CCOC(CCc3ccccc3)C2)c1C
InChIInChI=1S/C20H27N3O2/c1-15-16(2)21-22-19(15)10-11-20(24)23-12-13-25-18(14-23)9-8-17-6-4-3-5-7-17/h3-7,18H,8-14H2,1-2H3,(H,21,22)
InChIKeyMAZIJUIAVARDFK-UHFFFAOYSA-N
XLogP2.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one (CID 56873630) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one is Cc1[nH]nc(CCC(=O)N2CCOC(CCc3ccccc3)C2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
The InChIKey is MAZIJUIAVARDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15-16(2)21-22-19(15)10-11-20(24)23-12-13-25-18(14-23)9-8-17-6-4-3-5-7-17/h3-7,18H,8-14H2,1-2H3,(H,21,22).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one has a molecular weight of 341.45 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 56873630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).