2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide

C20H28N4O3 — CID 2999431

IUPAC2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
SMILESCc1c(NC(=O)C(C)N2CC(C)OC(C)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H28N4O3/c1-13-11-23(12-14(2)27-13)16(4)19(25)21-18-15(3)22(5)24(20(18)26)17-9-7-6-8-10-17/h6-10,13-14,16H,11-12H2,1-5H3,(H,21,25)
InChIKeyHKPCVWXXAVYXIP-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.92
Rot. Bonds4

About 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide

2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide (PubChem CID 2999431) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
PubChem CID2999431
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
SMILESCc1c(NC(=O)C(C)N2CC(C)OC(C)C2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H28N4O3/c1-13-11-23(12-14(2)27-13)16(4)19(25)21-18-15(3)22(5)24(20(18)26)17-9-7-6-8-10-17/h6-10,13-14,16H,11-12H2,1-5H3,(H,21,25)
InChIKeyHKPCVWXXAVYXIP-UHFFFAOYSA-N
XLogP1.92
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide (CID 2999431) is 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide is Cc1c(NC(=O)C(C)N2CC(C)OC(C)C2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
The InChIKey is HKPCVWXXAVYXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13-11-23(12-14(2)27-13)16(4)19(25)21-18-15(3)22(5)24(20(18)26)17-9-7-6-8-10-17/h6-10,13-14,16H,11-12H2,1-5H3,(H,21,25).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide?
2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 2999431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).